smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccc(Cl)cc1	2603031	UQVVIVRVWAOVAM-UHFFFAOYSA-N	412.858	4.776	10	40	HJCB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	5482399	GZQHCYBWSMDVCM-HMAPJEAMSA-N	405.494	4.594	10	40	HJCB	
Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccccc1F	5516354	RSYNERFDCXVPQV-HTYYESGYSA-N	409.490	4.508	10	40	HJCB	
CC[C@@H](C)n1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21	408893544	BAFGIYFWYWVWGB-VYVDHXHBSA-N	415.493	4.896	10	40	HJCB	
COc1ccc2ccc(O)c(CN(C)CC(=O)Nc3ccccc3C(F)(F)F)c2c1	8280020	MIZOKZFSDDJHPA-UHFFFAOYSA-N	418.415	4.643	10	40	HJCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)cc1	34780092	FTKCDFFEUYAOIW-OOEDSJJISA-N	405.527	4.678	10	40	HJCB	
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3cccc(N4CCCC4=O)c3)cc2)C1	219214802	VHZXJRPVJOVVBN-RTBURBONSA-N	405.542	4.541	10	40	HJCB	
CCN1C(=O)/C(=C/c2ccc(OC)c(COc3ccc(F)cc3F)c2)SC1=S	1015978	BQNRZSQEKIWAOD-NVMNQCDNSA-N	421.490	4.774	10	40	HJCB	
Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1	9158572	NDAUIVDSTCDSSW-YHNUHVPBSA-N	418.309	4.650	10	40	HJCB	
CCOc1ccc(C(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1	5059564	UNWPQRMQWXIGJI-UHFFFAOYSA-N	407.451	4.765	10	40	HJCB	
O=C(O)C/C(=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2s1	32642094	DRRBPDQJBSVZQQ-PTNGSMBKSA-N	409.467	4.820	10	40	HJCB	
Oc1ccccc1C1=NN2[C@H](c3ccco3)Oc3ccc(Br)cc3[C@H]2C1	102907309	WPPRXYCTQGAEQO-UZLBHIALSA-N	411.255	4.990	10	40	HJCB	
CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1	219358980	LNWQRIYADVYMFJ-IECBHUPTSA-N	410.558	4.966	10	40	HJCB	
O=C1N=C(SC(=O)c2ccccc2Br)S/C1=C/c1ccccc1	1512587	BXIUOWUMDPZEMR-GXDHUFHOSA-N	404.310	4.993	10	40	HJCB	
CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1	5217082	ZUCMDQWYOQOXMO-WZBMNHFVSA-N	411.918	4.777	10	40	HJCB	
Cc1nccc(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)n1	58425015	IKYQHRRLNQBIPX-UHFFFAOYSA-N	407.474	4.707	10	40	HJCB	
Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1Cc1ccccc1	409064332	GQFAJLXZTZUUDC-CIAFOILYSA-N	405.885	4.904	10	40	HJCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1	409206230	NHTXMWGCJWGSBI-FYJGNVAPSA-N	405.885	4.840	10	40	HJCB	
O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(Cl)cc1	1217380	CORROSVORKDPQQ-UVTDQMKNSA-N	408.957	4.632	10	40	HJCB	
COc1ccc(Cl)cc1-n1c(C)cc(C(=O)Nc2ccc(NC(C)=O)cc2)c1C	12516833	PWAFVOAWWRGUFA-UHFFFAOYSA-N	411.889	4.967	10	40	HJCB	
c1ccc2c3c(cc(N4CCOCC4)c2c1)O[C@]1(N2CCCCC2)CCCC[C@@H]1O3	20528595	NYEAMANZCHMFME-UKILVPOCSA-N	408.542	4.572	10	40	HJCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1ccccc1F	59135296	OTHXVFCHUQDQGA-LDADJPATSA-N	421.403	4.879	10	40	HJCB	
Cc1cc(C(=O)N2CCN(c3ccc(OCc4ccccc4)cc3)CC2)sc1C	2789433	KHIGXPFRUXFBGY-UHFFFAOYSA-N	406.551	4.906	10	40	HJCB	
Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c2C)c(C)c1	4688484	UVGJRIBBTYZIHA-LPYMAVHISA-N	417.484	4.943	10	40	HJCB	
COCCCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=S	9189322	FTJNJKNHPSDFFY-ZHZULCJRSA-N	413.564	4.812	10	40	HJCB	
COc1ccc(N2CCN(C(=O)CCCSc3ccc(Cl)cc3)CC2)cc1	222684559	AOCHPMSMQVHBPQ-UHFFFAOYSA-N	404.963	4.570	10	40	HJCB	
O=C1/C(=C\c2nc3ccccc3[nH]2)SC(=S)N1c1cccc(C(F)(F)F)c1	27533845	QKESYSPECXDUTG-NTEUORMPSA-N	405.426	4.988	10	40	HJCB	
COc1ccc(/C=C2\SC(=S)N(CNc3cccc(C(F)(F)F)c3)C2=O)cc1	34690888	YTVBTVCINBWGKN-SXGWCWSVSA-N	424.469	4.985	10	40	HJCB	
COc1cc(N2CCCCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21	222595473	AIKKHGIMPAMBMI-WQTXXOFMSA-N	408.571	4.670	10	40	HJCB	
C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3cccc(N4CCCC4=O)c3)cc2)C1	225692173	OVSQXTRDTGJHBH-GOSISDBHSA-N	422.598	4.536	10	40	HJCB	
CC(/C=C1\SC(=S)N(CCCC(=O)NC2CCCC2)C1=O)=C\c1ccccc1	5370956	XEDFWWDFTLGLRI-GDSPCTNTSA-N	414.596	4.673	10	40	HJCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C(=O)N=C2S)c1	8742818	YNQIMWDSIUPEFL-PDGQHHTCSA-N	406.438	4.637	10	40	HJCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)cc1	222943682	KXAOTCUFWJOKLL-PKTZIBPZSA-N	420.582	4.818	10	40	HJCB	
COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C=CSC4=NC3=O)c2C)cc1Cl	4150689	KLXLGCCSKATGIU-PRZRADHTSA-N	412.902	4.533	10	40	HJCB	
C[C@H]1CCCCN1Cc1c(O)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12	4353801	JJMHKZORMNTMII-HNNXBMFYSA-N	417.461	4.646	10	40	HJCB	biogenic
CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(OC)c(OC)c1)CO3	2119942	WSQCUNDHWFBEML-UHFFFAOYSA-N	409.482	4.818	10	40	HJCB	biogenic
Cc1ccc(NC=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)cc1	6664465	PFBYKUCOSVORQS-UHFFFAOYSA-N	409.530	4.747	10	40	HJCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(OC)c2)c1C	222876201	CAYLWLCRNAUSKY-GOTSBHOMSA-N	420.582	4.880	10	40	HJCB	
COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(OC)c1	225668187	KVDHBTAFDZSPHK-SJORKVTESA-N	413.587	4.988	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)cc(OC)c1OC	2421403	QLOPAERDVNRKBS-YBEGLDIGSA-N	421.927	4.772	10	40	HJCB	
CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1	4410491	AYCLTAUQBPLECA-MPZUNYIRSA-N	413.506	4.886	10	40	HJCB	
COc1cc(/C=C2\SC(Nc3ccc(C)cc3C)=NC2=O)ccc1OC(F)F	6366731	MGWUZROXNLPOHH-YVLHZVERSA-N	404.438	4.996	10	40	HJCB	
CC[C@H](C)N1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C1S	6830085	YTWHUNSTTBGHND-SMEDBKPVSA-N	417.534	4.526	10	40	HJCB	
CCOc1ccc(/C=C2\C(=O)N(c3ccc(F)c(Cl)c3)C(C)=C2C(=O)OC)cc1	6962014	XUMFLIFQAIAHKJ-BOPFTXTBSA-N	415.848	4.755	10	40	HJCB	
COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1	225670149	FTWQYVICJBICGY-IAGOWNOFSA-N	411.571	4.757	10	40	HJCB	
CC(C)(C)OC(=O)N1[C@H]([C@@H](O)c2cccc(Cl)c2)CC[C@@H]1Cc1ccc(N)cc1	1547139877	UAPLKNUNESKRIW-HKBOAZHASA-N	416.949	4.966	10	40	HJCB	
Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3F)SC2=S)c(C)c1	1217562	BVHMAIVLTXYQIN-PDGQHHTCSA-N	414.527	4.673	10	40	HJCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1O	1240301	XCJPHKNMIMAIIN-LZYBPNLTSA-N	409.891	4.989	10	40	HJCB	
C/C(NCc1ccco1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	6157515	KUCQDHXKGNBWCP-HMMYKYKNSA-N	414.490	4.704	10	40	HJCB	
Cc1ccc(N2C(=O)C[C@]2(C(=O)Nc2ccccc2C)c2ccc(N(C)C)cc2)cc1	6672470	NYANQWKTMDGMNX-AREMUKBSSA-N	413.521	4.640	10	40	HJCB	
Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1	6804335	SBHANSPPYYDXSZ-UHFFFAOYSA-N	412.917	4.915	10	40	HJCB	
Cc1cc(Br)c2c(c1NC(=O)c1ccccc1)C(=O)c1ccccc1C2=O	16268841	CTQFIEDKPHQUMQ-UHFFFAOYSA-N	420.262	4.785	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OCC)c3)SC2=S)cc1	60510589	VGQYOWJQUXHINU-CPNJWEJPSA-N	415.536	4.898	10	40	HJCB	
CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)SC1=S	107735687	MDEWONNSZINTEM-DHDCSXOGSA-N	407.900	4.909	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(C)cc1	409015427	AJPAYWZPXFXHRO-WQRHYEAKSA-N	401.384	4.891	10	40	HJCB	
Cc1c(OCC(=O)OCc2ccccc2)ccc2c(-c3ccccc3)cc(=O)oc12	1108017	YMHVZSUPXSWLKN-UHFFFAOYSA-N	400.430	4.891	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)ccc1OC(F)F	16740828	RSPFHDHHCKQDCV-SFQUDFHCSA-N	421.490	4.741	10	40	HJCB	
O=C1/C(=C\c2ccc(O)c(Br)c2)C(C(F)(F)F)=NN1c1ccccc1	408963963	KKCQDSGVDZQQEM-WQLSENKSSA-N	411.177	4.503	10	40	HJCB	
CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)C1=O	409013744	NXZKBUMJFNUQJO-OTGIAGGSSA-N	412.511	4.936	10	40	HJCB	
COc1ccccc1C(=O)NCCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	21335863	PPWBRASXHQHPTE-CYYJNZCTSA-N	402.454	4.869	10	40	HJCB	
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)cc(Br)c3O)N21	222674263	GESRDXAFRDZOQC-AFAVFJNCSA-N	418.360	4.838	10	40	HJCB	
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc([N+](=O)[O-])cc1	408739252	UQEAEGUYBXPMIS-NBVRZTHBSA-N	413.389	4.974	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccccc2)cc1	408841723	KBXLWQMIDCNGCP-LTGZKZEYSA-N	413.433	4.828	10	40	HJCB	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(F)cc1	1218214	PDLGVVFVYPSVFB-PTNGSMBKSA-N	406.529	4.507	10	40	HJCB	
CCOc1ccccc1/C=C1\SC(Nc2ccc(Cl)c(C(=O)O)c2)=NC1=O	5953790	ZHJGHTRNTOKQFP-SXGWCWSVSA-N	402.859	4.519	10	40	HJCB	
Cc1ccc2c(N)c(C(=O)OCC(=O)c3ccc(-c4ccccc4)cc3)sc2n1	13575245	DUWUEOZYJNDHAS-UHFFFAOYSA-N	402.475	4.894	10	40	HJCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C	222882930	GRGKACBDNWXZPM-FCHUYYIVSA-N	405.571	4.575	10	40	HJCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1	222837497	UYXIRQGGTQRJOQ-FGZHOGPDSA-N	405.571	4.573	10	40	HJCB	
O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1c1ccc(Cl)cc1	409343569	DXPAAIMMTSCCEH-AQTBWJFISA-N	416.955	4.582	10	40	HJCB	
CCC1=NN2C(=N)/C(=C\c3ccc(O[C@@H](C)c4ccccc4)cc3)C(=O)N=C2S1	4423307	VJQFORICOCHVDZ-CMAGKPIWSA-N	404.495	4.856	10	40	HJCB	
CCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2CCc2ccccc2)c2ccccc21	5274375	AAROODPMQTUMEL-PYCFMQQDSA-N	421.500	4.546	10	40	HJCB	
O=C(NN1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S)c1ccccc1	13844720	PNIALHBCUYFYJZ-UKTHLTGXSA-N	409.319	4.540	10	40	HJCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C	222876542	RAURRQBVQSPIAM-XZOQPEGZSA-N	420.582	4.880	10	40	HJCB	
CCN1c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc2[C@@H](C)CC1(C)C	223540648	LOGAWBCRGIZQNP-XESZTULISA-N	403.526	4.892	10	40	HJCB	
COc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1[N+](=O)[O-]	1416656	HQDROTUUALCQOZ-VIZOYTHASA-N	424.862	4.802	10	40	HJCB	
Cc1ccccc1N1C(=O)C(=Cc2ccco2)C(=O)N(c2ccccc2C)C1=S	2353140	PYPQNRAYJMEZKC-UHFFFAOYSA-N	402.475	4.645	10	40	HJCB	
CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(O)c(O)c1)Nc1ccccc1-2	2741710	RRVDATUJLSBQRY-IBGZPJMESA-N	410.499	4.735	10	40	HJCB	
Cc1ccc(Oc2ccc(N=S(C)(C)=O)c3c2C(=O)c2ccccc2C3=O)cc1	36559044	PTQREFVZINFSJJ-UHFFFAOYSA-N	405.475	4.922	10	40	HJCB	
COC(=O)Cn1c(-c2ccc(Br)cc2)cnc1SCc1ccccc1	44085996	URHQJSNZXUZPAJ-UHFFFAOYSA-N	417.328	4.778	10	40	HJCB	
CCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)cc1OCC	59861452	WFCYKSSTFNCJNJ-SFQUDFHCSA-N	408.454	4.608	10	40	HJCB	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H](C)Oc3ccc4c(c3)CCCC4)cc2)C1	260790485	FBUJKPIXJLNKRT-VQTJNVASSA-N	406.570	4.885	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(C)cc3)C2=O)c(OC)c1	408755350	KPVAVEGCCCUELY-HYARGMPZSA-N	416.452	4.986	10	40	HJCB	
O=C(O)c1ccc([C@@H]2Nc3ccc4c(c3[C@@H]3C=CC[C@@H]32)C(=O)c2ccccc2C4=O)cc1	408827077	FUOZRDCOEGNXDL-KCYKTTMJSA-N	421.452	4.987	10	40	HJCB	
Cc1c(O)c(CN(C)C[C@H]2CCCN3CCCC[C@H]23)cc2c1oc(=O)c1ccccc12	1565519826	IUHFXUKQOWDGLR-WZONZLPQSA-N	420.553	4.657	10	40	HJCB	biogenic
O=C1C(=Cc2ccc(Cl)cc2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	910907	HKGGGHURBPDVRV-UHFFFAOYSA-N	402.837	4.923	10	40	HJCB	
CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3cc(C)ccc3O)C[C@H]21	10215953	ZTEZAVZXLIUUGT-YKSBVNFPSA-N	401.466	4.737	10	40	HJCB	
O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1CNc1ccc([N+](=O)[O-])cc1	13398590	AYOGDHXPEDKTAH-OQLLNIDSSA-N	405.888	4.519	10	40	HJCB	
Cc1ccc(O[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)cc1C	28288266	HZRBYVNTPPNZPC-HXUWFJFHSA-N	403.526	4.765	10	40	HJCB	
COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1C	225584851	WGDKZHRLAFKSKQ-APWZRJJASA-N	416.587	4.588	10	40	HJCB	
O=C1/C(=C\c2cccc(I)c2)SC(=S)N1c1ccccc1	5541084	MQIMZMSPKSSJAY-GXDHUFHOSA-N	423.300	4.697	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1	33706273	GUALCCPJXSOQFJ-MQIWZSEOSA-N	409.490	4.653	10	40	HJCB	
Cc1cc(C)c2c(N)c(C(=O)OCc3nc4ccccc4n3C(F)F)sc2n1	84114818	BCBOSTWNFGIWFD-UHFFFAOYSA-N	402.426	4.597	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)C1	260578081	VWICNFACEBRNTI-OALUTQOASA-N	405.542	4.541	10	40	HJCB	
Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccc1Cl	408903669	VXGOVNPFWQSSND-NDENLUEZSA-N	405.910	4.518	10	40	HJCB	
CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)C1=O	409018539	HQXPDRMVUXVVRC-MKFNJMOCSA-N	412.511	4.936	10	40	HJCB	
CCOc1ccc(O)c([C@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2OC)c1	12645843	HMTMWXKJBFIERG-QHCPKHFHSA-N	420.465	4.579	10	40	HJCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1F	13893622	SIQDWLYZSVTTHE-UYRXBGFRSA-N	422.843	4.520	10	40	HJCB	
CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1OC	16692773	GGOZZDBYJVRBHY-UNOMPAQXSA-N	415.536	4.504	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccccc2F)cc1	408845215	VHDLCEQHHHCNBR-XSFVSMFZSA-N	417.396	4.577	10	40	HJCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1OC(C)=O	1417346	LGSOUBOWAFXGLJ-XDHOZWIPSA-N	413.520	4.725	10	40	HJCB	
Cc1cccc(N2C(=O)C(=Cc3ccsc3)C(=O)N(c3cccc(C)c3)C2=O)c1	2532807	CNSZPVIXMZNUTA-UHFFFAOYSA-N	402.475	4.948	10	40	HJCB	
CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O	4704554	VGKUWGPJFCCCLR-KGENOOAVSA-N	414.461	4.522	10	40	HJCB	
CC(C)(C)c1ccc(C(=O)NN2C(=O)/C(=C\C=C\c3ccco3)SC2=S)cc1	5552734	YMEHGHKOTHUQSV-MLIFEPNPSA-N	412.536	4.680	10	40	HJCB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	14009509	NTBRLFHXKYHNRX-MTJSOVHGSA-N	410.489	4.562	10	40	HJCB	
CCn1nc(C)c2c(C(=O)N[C@H](C)c3ccc(N4CCCCC4)cc3)cc(C)nc21	36616857	JAAURUAIPZNNLQ-QGZVFWFLSA-N	405.546	4.549	10	40	HJCB	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cc(Cl)cc(Cl)c1	103919892	ATEBHPYXIYCXRU-UNOMPAQXSA-N	418.280	4.645	10	40	HJCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(O)cc1	222616126	LWNHALJQTXGXPR-ARBPTSGCSA-N	404.539	4.784	10	40	HJCB	
COc1ccccc1C1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(C)c1	408842632	PFTPCGHGFREDHK-RCCKNPSSSA-N	413.433	4.746	10	40	HJCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\NNc1ccccc1Cl	408536284	VTELOEARKFAKJS-UVTDQMKNSA-N	419.710	4.634	10	40	HJCB	
CCc1ccc(-c2ccc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)o2)cc1	13592202	IEJSHEDGYPKAIT-ATVHPVEESA-N	401.509	4.575	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCC(=O)Nc1ccccc1	13915019	DAPAPVIOEQZKJT-JWGURIENSA-N	411.461	4.510	10	40	HJCB	
Cc1cnc(C(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)cn1	14911010	DAVNXZLZWYQESD-UHFFFAOYSA-N	407.474	4.707	10	40	HJCB	
CCCCN1C(=O)/C(=C\c2cc(Br)c(O)c(OCC)c2)SC1=S	36613113	LNHOYLFNGZZWJZ-UKTHLTGXSA-N	416.362	4.555	10	40	HJCB	
CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc(C)n(-c2ccccc2F)c1C	40059606	WCUBUHXQRLUNJL-UHFFFAOYSA-N	422.460	4.929	10	40	HJCB	
CCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(O)=NC1=S	59182247	GHAYZLWOMMRNGB-WOJGMQOQSA-N	423.925	4.830	10	40	HJCB	
O=C1NC(=S)S/C1=C\c1ccc(OCc2cccc(F)c2)c(Br)c1	108132882	USCBZQKDKYXOKE-NVNXTCNLSA-N	424.316	4.656	10	40	HJCB	
COc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1OC	219281706	UAHNKMNNXKCPLH-MOPGFXCFSA-N	410.558	4.750	10	40	HJCB	
COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1	224784881	GHUQLRHDYDABNL-LJQANCHMSA-N	416.587	4.588	10	40	HJCB	
COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OC	225654537	KAEGAWMDPXMFHX-QGZVFWFLSA-N	413.587	4.988	10	40	HJCB	
COc1cc(Br)cc(CNc2ccc(Br)c(C)c2)c1O	2383658	HCBWQDVXCCFIID-UHFFFAOYSA-N	401.098	4.846	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)C(O)=NC2=S)cc1	96476888	YDHQXDMMXCJRHG-LDADJPATSA-N	422.437	4.766	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(OC)cc3)C2=O)cc1	408761582	GMEGTURENCRQIK-PXLXIMEGSA-N	402.425	4.677	10	40	HJCB	
CCN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S	2303422	YIUZWDMHNKMKRX-HKWRFOASSA-N	424.591	4.635	10	40	HJCB	
Cc1noc2c1[C@@H](c1ccc(O)c(O)c1)C1=C(O)C[C@H](c3ccc(O)cc3)CC1=N2	102730447	YDGGCGHWUOAUFB-SPLOXXLWSA-N	404.422	4.708	10	40	HJCB	
CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C1=O	409071993	RELDWUIKNLRXCH-MHWRWJLKSA-N	405.317	4.913	10	40	HJCB	
O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)NCc1ccccc1	924749	KCYASDRKPMUKGY-UHFFFAOYSA-N	403.507	4.600	10	40	HJCB	
Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1-c1ccc(Cl)cc1	6993318	SQOPLTFTTQIFCJ-UHFFFAOYSA-N	400.935	4.957	10	40	HJCB	
Oc1ccc2c(c1)oc1c(-c3ccc(O)c(O)c3)c3c(O)nn(C4CCCC4)c3nc12	95473725	FWZVKNKXJCSJOX-UHFFFAOYSA-N	417.421	4.935	10	40	HJCB	
CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1	219358893	LNWQRIYADVYMFJ-KHCICDEESA-N	410.558	4.966	10	40	HJCB	
CCCCC1=NN2C(=N)/C(=C\c3cc(C)n(Cc4ccccc4)c3C)C(=O)N=C2S1	5518920	QWGMLTGDNDNJMS-YCWTWADVSA-N	419.554	4.963	10	40	HJCB	
Oc1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1O[C@@H]2c1cccnc1	10215235	ZQQMNRDIMDNTPA-WIYYLYMNSA-N	422.282	4.792	10	40	HJCB	
CCOC(=O)c1cc(NC(=S)NCc2ccc(N3CCCC3)cc2)ccc1Cl	225425122	DMKINOUSASWXBK-UHFFFAOYSA-N	417.962	4.604	10	40	HJCB	
COc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1[N+](=O)[O-]	15008366	RPFJYKDZZRZTHJ-LICLKQGHSA-N	400.481	4.626	10	40	HJCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\NNc1ccc(C)cc1C	408535961	UVTWXVLOGBUETA-BOPFTXTBSA-N	413.319	4.597	10	40	HJCB	
COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C4CC4)n3C3CC3)c2C)cc1	7902510	WKYFDTYWEHEGRC-UHFFFAOYSA-N	422.554	4.882	10	40	HJCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)nc1	222621344	CRGHJMMWLMDKPV-USCONSEESA-N	403.555	4.782	10	40	HJCB	
CCCN1C(=O)/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)SC1=S	409342176	CNKLQIOAYXTQKN-JYRVWZFOSA-N	409.895	4.673	10	40	HJCB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1	218757807	IWHPEOXPRQJAPT-KHCICDEESA-N	410.558	4.966	10	40	HJCB	
O=C(c1ccccc1)c1cc(Cl)ccc1NCC(=O)N1CCCc2ccccc21	3384833	HJGIJAAXMIQMTG-UHFFFAOYSA-N	404.897	4.962	10	40	HJCB	
Cc1ccc(NC(=O)CC(=O)n2nc(C)c(/N=N\c3ccccc3C(=O)O)c2C)cc1	8653573	UDKJZSBCHUOBAD-IZHYLOQSSA-N	419.441	4.591	10	40	HJCB	
Cc1ccc(C)c(Oc2c(C(F)(F)F)oc3c(CN(C)C)c(O)ccc3c2=O)c1	19793116	AQFYCQMLZRSIOJ-UHFFFAOYSA-N	407.388	4.988	10	40	HJCB	
CCCCc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)cc1	21359412	NMDFEZIVFZJZFB-UHFFFAOYSA-N	424.566	4.809	10	40	HJCB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2cccc3ccccc23)c1	113834713	QJTZHTGVYKCCAT-KOEQRZSOSA-N	420.468	4.880	10	40	HJCB	
O=C1/C(=C\c2ccco2)N=C(c2ccccc2Br)N1c1ccc(O)cc1	408752343	ABRXJNUUAXGGNG-LDADJPATSA-N	409.239	4.582	10	40	HJCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)C2=O)cc1	408989260	SZJVYULYNJOFDI-JWGURIENSA-N	412.445	4.708	10	40	HJCB	
COc1ccc(N2N=C(C(C)=O)N(c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1	2138145	DMWMYLLPIUNVJZ-VWLOTQADSA-N	414.509	4.689	10	40	HJCB	
Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2C)c(C)n1-c1ccccc1	2644195	MOFJKCSPBWXUML-UHFFFAOYSA-N	402.523	4.865	10	40	HJCB	
CCCCOc1ccc(/C=C2\C(=O)N(c3ccc(C(C)=O)cc3)N=C2C)cc1OC	4839115	QKRNKEJMQVZCCM-STZFKDTASA-N	406.482	4.883	10	40	HJCB	
Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)NCc1ccc(Cl)cc1	7423480	XZEVMKNDWVGKFV-UHFFFAOYSA-N	406.338	4.802	10	40	HJCB	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1ccccc1C(=O)O	100510870	DYPBIUHXUHTZST-FTGFMQHASA-N	419.466	4.692	10	40	HJCB	
Cc1c(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc2n1C	409342062	DCMSPCBUTGGFCV-GRSHGNNSSA-N	408.504	4.621	10	40	HJCB	
CCC1=NN2C(=N)/C(=C\c3ccc(-c4ccc(F)c(Cl)c4)o3)C(=O)N=C2S1	4616944	SXQCYXYJEHRJRB-HZHJIRKJSA-N	402.838	4.768	10	40	HJCB	
CCc1cccc(C)c1-n1cccc1/C=C1/C(=N)N2N=C(C(C)C)SC2=NC1=O	41083193	VEYUEWIOLGRKHS-ZTHFNACSSA-N	405.527	4.623	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccccc1OCC	408769782	OWBSMKFSNHTRFC-PGMHBOJBSA-N	421.493	4.751	10	40	HJCB	
CC(C)Oc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1	409330071	JJHQFDPYCJLYNT-LICLKQGHSA-N	400.481	4.788	10	40	HJCB	
COc1ccc(N(Cc2ccccc2)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1	10395172	XMWGELWXDTWWTE-UHFFFAOYSA-N	406.438	4.677	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCC(=O)Nc1ccccc1	103069765	DAPAPVIOEQZKJT-CJLVFECKSA-N	411.461	4.510	10	40	HJCB	
CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)CC1	219231174	GCAHVZJCUKWZIK-HXUWFJFHSA-N	419.569	4.536	10	40	HJCB	
COc1ccc(/C=C2/SC(Nc3ccccc3C(F)(F)F)=NC2=O)c(OC)c1	1244842	SJOURWDQCHEWIZ-CXUHLZMHSA-N	408.401	4.805	10	40	HJCB	
O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc2ccccc12	6133595	IRSZSXIVWIHGML-GZTJUZNOSA-N	410.545	4.741	10	40	HJCB	
O=C1/C(=C\c2nc3ccccc3[nH]2)SC(=S)N1c1ccccc1Br	27533861	XGJUQXSURVHCJS-NTEUORMPSA-N	416.325	4.731	10	40	HJCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1c(C)n(C)c2ccccc12	409036133	KWCLOIWRMXQCLD-XYOKQWHBSA-N	419.353	4.988	10	40	HJCB	
CN(Cc1cc2c(cc1O)OCO2)Cc1cn(-c2ccccc2)nc1-c1ccccc1	8196989	FTIQESXSIGYRGE-UHFFFAOYSA-N	413.477	4.606	10	40	HJCB	
O=C(O)c1cc(Br)cc2c1N[C@@H](c1ccc3c(c1)OCO3)[C@H]1CC=C[C@@H]21	58928850	AUHSJGBDOUPCQJ-VBHSOAQHSA-N	414.255	4.703	10	40	HJCB	
COc1cc2c(cc1S(=O)(=O)Nc1ccccc1C(=O)c1ccccc1)CCCC2	223136148	MTMPJNOPYVQHEI-UHFFFAOYSA-N	421.518	4.606	10	40	HJCB	
COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1	223395543	FCPVSFBIUHHELK-HZPDHXFCSA-N	422.978	4.624	10	40	HJCB	
COc1ccc(CCN2C(=O)/C(=C\c3cn(C)c4ccccc34)SC2=S)cc1	6614962	FFMXJWQPIJCZLN-DEDYPNTBSA-N	408.548	4.631	10	40	HJCB	
COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3C)C(=O)N=C2O)cc(Cl)c1O	34234768	VZOLOJKYZHNPFU-WDZFZDKYSA-N	421.236	4.523	10	40	HJCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)cc21	260759178	FGFZRNQCVRHFNF-UXHICEINSA-N	412.990	4.969	10	40	HJCB	
CSc1cccc(N2C(=O)/C(=C\c3cc4ccccc4oc3=O)SC2=S)c1	409329045	CCUYLICYQAWYGD-LICLKQGHSA-N	411.529	4.921	10	40	HJCB	
O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2	1416762	ZTCFLIAQZSENEG-CLUVUEOHSA-N	414.255	4.703	10	40	HJCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3cc(F)c(N4CCCC4)cc3C)C2=O)cc1	33651219	RZWDGCJYJUSSCS-LDADJPATSA-N	407.445	4.549	10	40	HJCB	
COc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1OC	219281743	UAHNKMNNXKCPLH-RTBURBONSA-N	410.558	4.750	10	40	HJCB	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2Cl)N1c1ccc(O)cc1	408840152	BMXPLQZRYPPOJW-CPNJWEJPSA-N	419.824	4.788	10	40	HJCB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2O)n2nc(-c3ccccc3)nc2N1	13027988	TZCMHRKXMMSVCW-JOCHJYFZSA-N	423.476	4.578	10	40	HJCB	
CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1	100725787	ACZAICVATKNZFL-PXLXIMEGSA-N	412.445	4.770	10	40	HJCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccc(Cl)cc2)N1c1ccccc1	408756236	OWUGDLOWSUALRL-XDHOZWIPSA-N	402.837	4.903	10	40	HJCB	
COc1cccc2c(C=C3C(=O)OC4(CCCCC4)OC3=O)c(-c3ccccc3)[nH]c12	408764968	ATKHQRKTAPEDNJ-UHFFFAOYSA-N	417.461	4.987	10	40	HJCB	
COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2C)cc1	7423721	JFWSEGUUEDZLND-UHFFFAOYSA-N	401.919	4.788	10	40	HJCB	
CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C(=O)N=C2S1	9308291	KDMJIZLVYVGMOY-JUVBEIPNSA-N	423.567	4.732	10	40	HJCB	
Cc1cccc(C2(C(=O)N[C@@H](C)c3ccc(N4CCCCC4)cc3)CCOCC2)c1	19662262	YXWDERJMVKRKMK-NRFANRHFSA-N	406.570	4.911	10	40	HJCB	
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc3cccc(Cl)c3n2)SC1=S	54360925	YSMSNURKAJQZML-QTNMRXCUSA-N	420.943	4.733	10	40	HJCB	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cccc(OC)c1OC	103919329	MQDJRHODFNHASF-QNGOZBTKSA-N	409.486	4.601	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccccc2F)cc1	408848608	XJIIGQLVVHUVBD-XSFVSMFZSA-N	401.397	4.877	10	40	HJCB	
O=S(=O)(Nc1cc(Br)c(O)c2ccccc12)c1ccc(Cl)cc1	851477	JZDPAQVHVBRUGI-UHFFFAOYSA-N	412.692	4.762	10	40	HJCB	
CCCCCCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1	96663450	GEPIBMBSVZNEFE-SAPNQHFASA-N	407.557	4.712	10	40	HJCB	
CC/C(NCc1ccco1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	2269615	KKBMHWBEQANCMU-NTCAYCPXSA-N	420.416	4.608	10	40	HJCB	
CCOC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)-c1ccccc1C3=O	4648840	GAXQPKVXIOMSCV-UHFFFAOYSA-N	406.488	4.995	10	40	HJCB	
COc1cc(Br)cc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c1O	15947567	KIMZEGRPPHVYOX-PWJLMRLQSA-N	423.332	4.779	10	40	HJCB	
C[C@@H](NC(=O)Cc1cccc(Br)c1)c1ccc(N2CCCCC2)cc1	225621350	CXEIDPMYRMVMSS-MRXNPFEDSA-N	401.348	4.859	10	40	HJCB	
CC(=O)Nc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)cc1	27230529	BGMWWLMBTRLAIH-ODLFYWEKSA-N	407.520	4.543	10	40	HJCB	
CSc1cccc(N2C(=O)/C(=C/c3coc4ccccc4c3=O)SC2=S)c1	409385833	KBNPHSGNTMMURR-MFOYZWKCSA-N	411.529	4.921	10	40	HJCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(Cc2ccccc2)C1=O	1005945	MBQJNGHRPMJDPP-FYJGNVAPSA-N	424.522	4.541	10	40	HJCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)o2)cc1	8842991	LUWUJCLHJSRVKC-CPNJWEJPSA-N	418.474	4.714	10	40	HJCB	
C[C@H](NC(=O)C1(c2ccccc2F)CCOCC1)c1ccc(N2CCCCC2)cc1	19662196	RRTNMGWVJSMSPC-IBGZPJMESA-N	410.533	4.742	10	40	HJCB	
C[C@H]1CN(C2=NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)S2)C[C@H](C)O1	4806859	RRYSTCATLXOMHY-VDYCAFGDSA-N	402.903	4.680	10	40	HJCB	
O=C1/C(=C\c2cc3cc4c(cc3nc2Cl)OCO4)SC(=S)N1C1CCCC1	13719846	MDRAHNQTGQTFBL-FRKPEAEDSA-N	418.927	4.761	10	40	HJCB	
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1	18177036	DUFSQZYDVNWABF-WCWDXBQESA-N	408.483	4.605	10	40	HJCB	
COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1C(C)C	409246830	FARJVDDOSIPHKZ-XDHOZWIPSA-N	422.550	4.575	10	40	HJCB	
CCCCc1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)cc1	33637267	YJYDVQNQFAPHDV-ULJHMMPZSA-N	413.521	4.898	10	40	HJCB	
O=C(Nc1nccs1)c1cccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1	1281098	QHIRLSKFDOGOHL-WJDWOHSUSA-N	423.544	4.801	10	40	HJCB	
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc3cccc(Cl)c3n2)SC1=S	54360926	YSMSNURKAJQZML-MKRLJBPISA-N	420.943	4.733	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-]	59959257	OZVSWHFOGMKYFL-UYRXBGFRSA-N	406.438	4.595	10	40	HJCB	
O=C(Nc1ccccc1)c1c(NS(=O)(=O)c2ccccc2)sc2c1CCCC2	409072640	QXOFCTNZXLFMBY-UHFFFAOYSA-N	412.536	4.680	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)ccc1O	971235	GXGREXCULBDRHJ-DHDCSXOGSA-N	422.325	4.569	10	40	HJCB	
C[C@@H]1CN(C2=NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)S2)C[C@@H](C)O1	26687919	JREVBGMNOLCWGD-ZDFMGPMUSA-N	402.903	4.680	10	40	HJCB	
Cc1cc(/C=C2/C(=O)N(c3cccc(F)c3)C(=O)N=C2O)c(C)n1-c1ccc(F)cc1	59137192	GHHLONHQGKIAPC-RGVLZGJSSA-N	421.403	4.879	10	40	HJCB	
COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C)o2)c(C)c1	683792	PTUXPQBLCYWSBY-KGENOOAVSA-N	400.434	4.848	10	40	HJCB	
CCC1=NN2C(=N)/C(=C/c3ccc(O[C@@H](C)c4ccccc4)cc3)C(=O)N=C2S1	4860206	VJQFORICOCHVDZ-FMSAKNBBSA-N	404.495	4.856	10	40	HJCB	
CC(C)(C)c1ccc(OCCOc2ccccc2/C=C2\SC(=S)NC2=O)cc1	5203358	PBNPFYDPGIMEOB-RGEXLXHISA-N	413.564	4.931	10	40	HJCB	
C/C(Nc1ccc(F)cc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	17090547	GMFGYBRRGAVGAC-QNGOZBTKSA-N	416.412	4.871	10	40	HJCB	
S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(N2CCCCCC2)nc1	223953277	IWPHBMHRKVZSJD-UHFFFAOYSA-N	409.603	4.549	10	40	HJCB	
CCCCN1CCc2cc(/C=C3/C(=O)N(c4ccccc4)C(=S)N=C3O)ccc21	2604752	ZNYAWUSSSUMYKI-XDJHFCHBSA-N	405.523	4.521	10	40	HJCB	
CC1=C(c2ccc(C)cc2)N=C2N=NNN2[C@H]1c1ccc(N2CCCC2)c([N+](=O)[O-])c1	5930045	YSWNSXCPMYGOOC-OAQYLSRUSA-N	417.473	4.533	10	40	HJCB	
O=C1c2ccccc2N[C@@H](c2cc(Cl)ccc2O)N1c1ccc2c(c1)OCCO2	12631920	TVEMTFIBDVGACO-OAQYLSRUSA-N	408.841	4.588	10	40	HJCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1O	13660215	XCJPHKNMIMAIIN-PXNMLYILSA-N	409.891	4.989	10	40	HJCB	
C[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccc(N2CCC[C@@H](C)C2)cc1	222644931	GGIPJEVPABBAOE-MOPGFXCFSA-N	408.542	4.504	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccc(F)cc2)cc1	408766462	QZKKJXDHGBSKDB-KGENOOAVSA-N	400.409	4.667	10	40	HJCB	
CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(O)c(O)c(Cl)c2)cc1	7363629	KMPZCOMFFSUTSG-NRFANRHFSA-N	410.857	4.921	10	40	HJCB	
CCN(CC)c1ccc(CN(C(=O)COc2ccccc2C)c2ccccn2)cc1	28291153	RGVHCRMDXBLXKV-UHFFFAOYSA-N	403.526	4.848	10	40	HJCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCc2cccs2)cc1	112125642	APKOCTAUUKHTAU-PGMHBOJBSA-N	403.507	4.571	10	40	HJCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(F)cc3)C2=O)cc1	408757922	DUIZVBUJZCCHTI-PXLXIMEGSA-N	414.436	4.755	10	40	HJCB	
CCCn1cc(/C=C2/C(=O)N(c3cccc(OC)c3)C(=S)N=C2O)c2ccccc21	2379121	BUHTUUUKAQRLNR-XDHOZWIPSA-N	419.506	4.732	10	40	HJCB	
CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(C(C)(C)C)cc1	5295766	VKUBEWJOYMKTDO-UHFFFAOYSA-N	411.527	4.649	10	40	HJCB	
COc1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)c(OC)c1	15019432	LCCUHYDXIFTRPC-CAOOACKPSA-N	421.927	4.772	10	40	HJCB	
CC(C)C1=NN2C(=N)/C(=C/c3ccc(SC4CCCCC4)o3)C(=O)N=C2S1	41083266	SHQGHVJXPIMQFR-MKGVMWAWSA-N	402.545	4.980	10	40	HJCB	
CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N(c2ccccc2)C1=O	59138900	QSVRAHCKRHXLNO-QGOAFFKASA-N	406.825	4.609	10	40	HJCB	
Cn1c(/C=C2/SC(Nc3cc(Cl)ccc3Cl)=NC2=O)nc2ccccc21	5236004	FVUDCNUNYXMIRY-OQLLNIDSSA-N	403.294	4.963	10	40	HJCB	
Cc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2Cc2ccco2)cc1	44086205	NPZUADDBEPKHOS-UHFFFAOYSA-N	408.483	4.527	10	40	HJCB	
CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1	80346782	ZUCMDQWYOQOXMO-OXMFYWCOSA-N	411.918	4.777	10	40	HJCB	
O=c1[nH]n(C2CCCCC2)c2nc3c(oc4c(O)c(O)ccc43)c(-c3cccnc3)c12	85876156	HGJHLJZWNDPXIU-UHFFFAOYSA-N	416.437	4.602	10	40	HJCB	biogenic
COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1	222831698	OGXCCMJZNRNGEO-XZOQPEGZSA-N	420.582	4.879	10	40	HJCB	
COc1cccc(Nc2cc(NC(C)C)c(N)c3c2C(=O)c2ccccc2C3=O)c1	5452100	OUGHMBJXWIXBTH-UHFFFAOYSA-N	401.466	4.617	10	40	HJCB	
CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N=C2S1	9291970	ZYSCOQGNPUOFAO-QLAZQOFOSA-N	423.567	4.651	10	40	HJCB	
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(Cl)cc1Cl	20289328	GVRROVGWAUFZGQ-LDADJPATSA-N	418.349	4.786	10	40	HJCB	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccccc1OC(F)(F)F	112290631	XFZORXBVMFWZHR-BOPFTXTBSA-N	420.347	4.602	10	40	HJCB	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)c1	1639207510	QWANHLWAZWYLIQ-UHFFFAOYSA-N	423.557	4.700	10	40	HJCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1	1163629	DGQGUJJPFWSMSY-CIAFOILYSA-N	423.875	4.980	10	40	HJCB	
Cc1ccc(Sc2ccc(/C=C3/C(=O)NC(=O)N(c4cccc(C)c4)C3=O)o2)cc1	13940424	LUWUJCLHJSRVKC-UYRXBGFRSA-N	418.474	4.714	10	40	HJCB	
CCc1ccccc1N1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S	35040705	XGLQFHMPYHIMLZ-LDADJPATSA-N	415.536	4.681	10	40	HJCB	
Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccc(F)cc2)cc1	2271326	SVSPZURVVSSGPV-UHFFFAOYSA-N	403.862	4.819	10	40	HJCB	
CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Br)o3)SC2=S)cc1	5371587	OXFHMWHUNKBSHB-MDWZMJQESA-N	408.298	4.651	10	40	HJCB	
CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2)c1O	5546465	YSEVEHANQQNAJW-BKUYFWCQSA-N	400.482	4.618	10	40	HJCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=O)N(Cc4ccco4)C(=O)N=C3O)c2C)cc1	13688312	CEKDNPRHKGMOHV-BKUYFWCQSA-N	417.465	4.752	10	40	HJCB	
COc1ccccc1NC(=O)CC(=O)n1nc(C)c(/N=N\c2ccccc2F)c1C	104282143	YVURVOGOMDAWGV-IZHYLOQSSA-N	409.421	4.732	10	40	HJCB	
COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c(C)c1C	260772741	WGDKZHRLAFKSKQ-LPHOPBHVSA-N	416.587	4.588	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccc(Cl)cc1	638421	IWURBGTUQVSQRJ-YBEGLDIGSA-N	418.276	4.879	10	40	HJCB	
Cc1cc(C)n2c(S[C@@H](C)C(=O)c3cc(C)n(-c4ccccc4)c3C)nnc2n1	3368241	CUIHQSBFIVSTFI-KRWDZBQOSA-N	405.527	4.512	10	40	HJCB	
COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2	4614195	BQUYVTSRZJNFJW-MCIONIFRSA-N	421.559	4.515	10	40	HJCB	
CC(C)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=O)N=C2S1	9348301	UXOWNSUVRFVNHF-GLGSTRKCSA-N	422.485	4.680	10	40	HJCB	
CC(=O)N1N=C(c2ccccc2O)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1	10434001	KXOCWAPNDQCWAE-XMMPIXPASA-N	422.488	4.943	10	40	HJCB	
O=C1/C(=C\c2cccc(OCc3ccccc3)c2)C(O)=NC(=S)N1c1ccccc1	33313634	SMBFPXUQQMPNOG-QNGOZBTKSA-N	414.486	4.937	10	40	HJCB	
CCCCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(C)cc3)C(=O)N=C2S1	41083037	JUUBHRCAOIDEMP-QVRVXCEOSA-N	405.527	4.985	10	40	HJCB	
Fc1cc(Br)ccc1NC(=S)NCc1ccc(N2CCCC2)cc1	225424517	KMKCYVFHNFZOFZ-UHFFFAOYSA-N	408.340	4.675	10	40	HJCB	
COc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2Cc2ccco2)cc1	44086165	GANRTHFZFUXVHB-UHFFFAOYSA-N	419.506	4.931	10	40	HJCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccc(O)cc1	260771891	LWNHALJQTXGXPR-UJUVCNOISA-N	404.539	4.784	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(N(CC)CC)cc3)N(C)C2=S)cc1	409031063	GFZICCZNZSHFDG-PGMHBOJBSA-N	409.555	4.536	10	40	HJCB	
COc1ccc(-n2c(C)cc(CNC3CCN(Cc4ccccc4)CC3)c2C)cc1	23409443	VTLIXCCOMYMDGW-UHFFFAOYSA-N	403.570	4.857	10	40	HJCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(OC)c2)c1C	222876358	CAYLWLCRNAUSKY-DHIUTWEWSA-N	420.582	4.880	10	40	HJCB	
COc1ccc(C2(Nc3cc(Cl)ccc3OC)C(=O)c3ccccc3C2=O)cc1	7003025	GFWMBVSPVRTELZ-UHFFFAOYSA-N	407.853	4.744	10	40	HJCB	
O=C1N/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(Cl)cc1Cl	27570975	SZCDAFMUTVSCGE-ODLFYWEKSA-N	416.308	4.687	10	40	HJCB	
CCCOc1ccc(/C=C2/C(=O)N(c3ccccc3C)C(=O)N=C2O)cc1OCC	59861477	XYFVTHGULUZGPC-GHRIWEEISA-N	408.454	4.689	10	40	HJCB	
COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccco4)o3)c2C)cc1	89579852	NXRGYTFEARDZIK-UHFFFAOYSA-N	409.467	4.721	10	40	HJCB	
CCOc1cc(Br)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC	1153171	HUQJSKYICNYFCS-MHWRWJLKSA-N	415.287	4.663	10	40	HJCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C	222972544	AKHJSNJPDWGMRS-GOTSBHOMSA-N	419.598	4.965	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(F)cc3)C2=O)c(OC)c1	408760044	QMYKVHLQXAVFKD-HYARGMPZSA-N	416.452	4.986	10	40	HJCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)c2ccccc21	409198368	DXVLZZDAALOZCE-PXLXIMEGSA-N	400.478	4.788	10	40	HJCB	
CCN(CC)c1ccc(/C=C2\SC(=S)N(C)C2=O)c(OCc2ccccc2)c1	409329144	CZTFSNZNTXMJIF-MOSHPQCFSA-N	412.580	4.943	10	40	HJCB	
O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\c1cccc2ccccc12	5234699	HWNVQXTVEGCCDT-JWGURIENSA-N	417.509	4.771	10	40	HJCB	
CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S	5374200	MPKRQKMZUJJWBH-OQTCTZCMSA-N	404.340	4.694	10	40	HJCB	
O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	59459812	WTYCJRUKPSCPEF-ZROIWOOFSA-N	421.297	4.763	10	40	HJCB	
O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccccc1	12376661	RWMKOXFWEROJII-QGOAFFKASA-N	407.476	4.791	10	40	HJCB	
O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccc(/N=N/c2ccccc2)cc1	4287939	AUAOMBKUWLAJCM-CYYJNZCTSA-N	419.485	4.685	10	40	HJCB	
Cc1cc(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)o2)c(C)n1-c1ccccc1	6039955	GHNJBIRPDUNDJT-MRXNPFEDSA-N	404.495	4.903	10	40	HJCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(O)cc1	222921692	JTCJCOPHYOZPEO-XZOQPEGZSA-N	420.582	4.823	10	40	HJCB	
COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1C	225664590	VSIKSVXKVJZPAH-KRWDZBQOSA-N	411.571	4.820	10	40	HJCB	
COc1ccc(-c2c(C)c3ccc(O)c(CN4CCCC[C@H]4C)c3oc2=O)cc1OC	4353845	NKCAKSDLHCAXOG-OAHLLOKOSA-N	423.509	4.866	10	40	HJCB	biogenic
CC(=O)n1c(O)c(/N=N/C(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21	5244427	QXVPXXAXDMYENF-OCEACIFDSA-N	413.433	4.553	10	40	HJCB	
COc1cc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccnc2)ccc1O	10215505	VDSSTGSQJQVVEM-PGRDOPGGSA-N	407.857	4.692	10	40	HJCB	
Cc1ccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)c3ccccc23)cc1	16311063	LAYCUDQZVJSTFK-UHFFFAOYSA-N	402.475	4.991	10	40	HJCB	
CCOc1ccc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)cc1OC	33316048	ABNVLGIWXKACRW-BOPFTXTBSA-N	415.287	4.663	10	40	HJCB	
Cc1cc(CN[C@@H](C[S@](C)=O)c2ccccc2)c(C)n1-c1ccc(F)c(F)c1F	96003639	NRPQGFVILKDEBD-ADXZGYQBSA-N	420.500	4.721	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(F)cc3)C2=O)c(OC)c1	408766475	REOSJXOOTCIOLW-FYJGNVAPSA-N	420.415	4.817	10	40	HJCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cn(C)c2ccccc12	409034423	HCUFJNYSVQYBAT-GHXNOFRVSA-N	405.326	4.680	10	40	HJCB	
CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O	408787303	WVEAMLHTURHONB-KGENOOAVSA-N	414.461	4.522	10	40	HJCB	
CCN(CC)c1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1	3666923	ZVCKZDBRKSRQPF-ZRVKMLQASA-N	403.570	4.868	10	40	HJCB	
Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S	5371539	VGBXXNGGZBJPNN-ZDLGFXPLSA-N	408.504	4.591	10	40	HJCB	
CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(Br)cc3)C(=O)N=C2S1	5576113	XUHBVQNMUMXHQQ-KOKPZHPOSA-N	405.321	4.504	10	40	HJCB	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NNC(=S)Nc1ccc(OC(F)F)cc1	9373564	UIUQWMCDRJCSDG-UHFFFAOYSA-N	422.335	4.529	10	40	HJCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C4CCCCC4)c3C)C2=O)c1	408739570	CSDGDOHYIDMATI-HYARGMPZSA-N	419.525	4.893	10	40	HJCB	
CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O	408806363	IXANWQZFQNBNSU-RCCKNPSSSA-N	414.461	4.603	10	40	HJCB	
COc1ccc(-c2coc3c(CN4CCCCCC4)c(O)ccc3c2=O)cc1OC	20393040	GJUWSNBVQPTYNS-UHFFFAOYSA-N	409.482	4.559	10	40	HJCB	biogenic
CCc1ccc(OCCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1	33390832	NRHSAIXJKKCQIC-HKWRFOASSA-N	413.564	4.928	10	40	HJCB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(Br)cc1Cl	408536302	VZYQHPOYQNPMJH-ZROIWOOFSA-N	408.658	4.960	10	40	HJCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)NC1=S	409236070	RODSFKRUHQRVGO-SFQUDFHCSA-N	422.893	4.740	10	40	HJCB	
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN(CC)CC)c1O	4247239	OOOGEFSNZZKCGR-UHFFFAOYSA-N	419.525	4.765	10	40	HJCB	biogenic
Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1-c1cccc(C(F)(F)F)c1	20920403	GVUXTNQRTTWNER-UHFFFAOYSA-N	419.359	4.678	10	40	HJCB	
CCN1C(=O)N=C(O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O	5947747	JQMHKGASNYOTHY-GZTJUZNOSA-N	407.857	4.665	10	40	HJCB	
O=S(=O)(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(F)cc1F	8195519	HQJRRYQZHBYIFR-UHFFFAOYSA-N	408.407	4.742	10	40	HJCB	
C/C(NCCc1ccc(F)cc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	17091046	XPAVXGZQAXHTGZ-QJOMJCCJSA-N	417.459	4.822	10	40	HJCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)c(C)c1	41083218	RBKONNXDYSSQIU-MHHBVAOCSA-N	419.554	4.986	10	40	HJCB	
CC1=CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc21	208441345	VHTVDAIYMICWKR-NDENLUEZSA-N	405.473	4.550	10	40	HJCB	
C[C@@H]1CCCN(c2ccc(CNC(=O)Cc3cccc(Br)c3)cc2)C1	225621844	GMZFOGGUOIOEJP-MRXNPFEDSA-N	401.348	4.544	10	40	HJCB	
CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N3C[C@@H]1CC=C[C@H]21	239296726	DDEKIEWNLHPDSL-VSALZBCGSA-N	412.489	5.692	10	40	HJCB	
CN(C)c1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(F)cc3)C2=O)cc1	408764977	OIZPAWLKLFHNMO-PXLXIMEGSA-N	403.432	4.865	10	40	HJCB	
Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccco3)SC2=S)c(C)c1	1841855	MWFHLALIPQSRDK-ATVHPVEESA-N	400.525	4.517	10	40	HJCB	
CCCCOc1ccc(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)cc1OCC	2811867	CGMRIHATVJYTLI-CXDFQFJYSA-N	421.584	4.644	10	40	HJCB	
O=C(O)c1cccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)c1	12125609	BFFUURJKVUVRQJ-ZSOIEALJSA-N	420.309	4.553	10	40	HJCB	
CCOc1ccc(-c2nc(CN3CCN(c4ccc(OC)cc4)CC3)cs2)cc1	39561482	OMOZJXGDKXNJDG-UHFFFAOYSA-N	409.555	4.540	10	40	HJCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(Cc4ccccc4)c3C)C(=O)N=C2S1	41082890	QWGMLTGDNDNJMS-YNUQAMOLSA-N	419.554	4.963	10	40	HJCB	
Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2ccc(C)c(O)c2O)c2ccccc2)c1	58177744	ZHMUFHIKRLAABE-JOCHJYFZSA-N	405.450	4.560	10	40	HJCB	
CCOC(=O)c1c(N/C=C2\C(=O)N(c3ccccc3)N=C2C)sc2c1CCCCC2	100885199	JLZCLJZLBAMYKS-JXAWBTAJSA-N	423.538	4.912	10	40	HJCB	
Cc1ccc(O[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)cc1C	28288268	HZRBYVNTPPNZPC-FQEVSTJZSA-N	403.526	4.765	10	40	HJCB	
CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C	80346795	JYWOOLISAYOZGL-FZAWDKCWSA-N	419.554	4.932	10	40	HJCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)c1	260766005	IQXRNQKYNDXZHK-NPFVIJTESA-N	403.555	4.782	10	40	HJCB	
O=C(Nc1ccc(N2CCCCC2)c2c1C(=O)c1ccccc1C2=O)c1ccccc1	4600853	BIUZECOZFGHSNZ-UHFFFAOYSA-N	410.473	4.705	10	40	HJCB	
CCCCOC(=O)CCCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S	5370977	ZODVQTWMZYTMEU-BEQKSFQUSA-N	403.569	4.958	10	40	HJCB	
COc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21	6721761	FASNEEZZSIEOSE-XMSQKQJNSA-N	407.857	4.692	10	40	HJCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1	260759438	GOEZXFDTPMHMQQ-URZJWIJPSA-N	404.539	4.779	10	40	HJCB	
Cc1cc(NC(=O)c2cccc(N3C(=O)/C(=C/c4ccccc4)SC3=S)c2)no1	1281099	GDPPYRISXJXAFF-BOPFTXTBSA-N	421.503	4.641	10	40	HJCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccccc4)o3)C2=O)cc1Cl	4473628	XGUWLMINFMVXNV-ATVHPVEESA-N	406.825	4.575	10	40	HJCB	
Cc1cc2oc(=O)c(C)c(C)c2c(O)c1C1=NN[C@H](c2c(F)cccc2Cl)C1	12389711	GGHISRKTUXYPEV-HNNXBMFYSA-N	400.837	4.655	10	40	HJCB	
Nc1ccc(CCCCc2nc(N)nc(N)c2-c2ccc(Cl)c(Cl)c2)cc1	13283486	UZRWUZFMZGJEFZ-UHFFFAOYSA-N	402.329	4.762	10	40	HJCB	
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2cccc3ccccc23)cc1	28232001	IPJLKPWXBCNKLW-XMMPIXPASA-N	402.538	4.656	10	40	HJCB	
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(OC)c3)N21	222679872	GAFCFUAEPZYHAF-BULFRSBZSA-N	408.571	4.670	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F	408791917	FFUQWOARHIPQQW-WJDWOHSUSA-N	405.347	4.722	10	40	HJCB	
COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C	409061239	YJNFVSHZTFOSKV-XKZIYDEJSA-N	406.526	4.792	10	40	HJCB	
CC(C)Cn1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2ccccc21	409134773	PUNFJFHJJCITKZ-DZGUVLCISA-N	400.569	4.678	10	40	HJCB	
CC[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2C(=O)OC(C)C)C1	5954122	OCIKZZVAZLUVMG-KKUMJFAQSA-N	421.559	4.658	10	40	HJCB	
Cc1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)n2C)cc1	44085589	NTUCZBXOXMMTRH-UHFFFAOYSA-N	416.344	4.889	10	40	HJCB	
CCOC(=O)c1cccc(NC(=S)NCCCN(CC)c2ccc(C)cc2)c1C	225734381	UFSLXAYAANGZFB-UHFFFAOYSA-N	413.587	4.683	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2ccccc2F)cc1	408761695	KTVFICCSZJKXHV-PXLXIMEGSA-N	402.425	4.677	10	40	HJCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)c(OC)c3)N21	260759317	GAFCFUAEPZYHAF-YHYVQYDKSA-N	408.571	4.670	10	40	HJCB	
Cc1ccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccc(F)cc2)cc1	408841791	LKGWNEFYMHFWKP-XSFVSMFZSA-N	401.397	4.877	10	40	HJCB	
Cc1ccc(/C=C2\SC(=S)N(CNc3ccc(Br)cc3)C2=O)o1	12462484	FTDMTQWQYJVMAC-ZSOIEALJSA-N	409.330	4.621	10	40	HJCB	
O=c1c(-c2ccc(Br)cc2)coc2c(CN3CCCCC3)c(O)ccc12	20357750	HXCWKEAVTVPGAA-UHFFFAOYSA-N	414.299	4.914	10	40	HJCB	biogenic
CC1CCN(c2ccc([C@@H](C)NC(=S)Nc3ccc4c(c3)OCCO4)cc2)CC1	225655505	GJVZXRHSJPUQHL-QGZVFWFLSA-N	411.571	4.742	10	40	HJCB	
COc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1	408758969	VTFZOECSSOMAFQ-JJIBRWJFSA-N	411.505	4.904	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccc(F)cc2)cc1	408849050	YNFIRJNDBJMGPR-XSFVSMFZSA-N	401.397	4.877	10	40	HJCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1	409349088	ULRXMCHAJSNHRX-YBEGLDIGSA-N	419.915	4.720	10	40	HJCB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=c3\sc4nc5ccccc5n4c3=O)cc21	208241656	GLVBTDGQYREFMS-NLLJVSSUSA-N	423.969	4.832	10	40	HJCB	
O=C1N=C(O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Sc2ccccc2)o1	17162104	WLNAAQCSGIJNLH-ATVHPVEESA-N	424.865	4.955	10	40	HJCB	
CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1	218119961	RMKJCJPWZRWTCR-OAHLLOKOSA-N	401.894	4.976	10	40	HJCB	
CC1CCN(c2ccc([C@H](C)NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)CC1	218120053	RMKJCJPWZRWTCR-HNNXBMFYSA-N	401.894	4.976	10	40	HJCB	
O=C1/C(=C\c2cc(Br)ccc2O)SC(=S)N1Cc1ccccc1	15011915	BGNGRPCCSCVZDM-OQLLNIDSSA-N	406.326	4.556	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OC)c(OC)c1	58884052	HSCAMENQLJDSES-MOSHPQCFSA-N	421.493	4.704	10	40	HJCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)c1	408865927	DYFVWNATGARWMW-XQNSMLJCSA-N	410.473	4.561	10	40	HJCB	
O=C1NC(=S)S/C1=C/c1cn(Cc2ccc(F)cc2Cl)c2ccccc12	409341832	CIYNRTDQLYTPKB-REZTVBANSA-N	402.903	4.971	10	40	HJCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC3CCCC3)C2=O)cc1	4745345	QWEXFOBULWTMPK-CYVLTUHYSA-N	416.612	4.815	10	40	HJCB	
CCOc1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1	83302913	AEYJFNVHALYEJX-CJLVFECKSA-N	413.433	4.828	10	40	HJCB	
Cc1nccn1Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1	225298003	LHAXKPBVEKCKCT-WOJBJXKFSA-N	416.569	4.967	10	40	HJCB	
CCN(CCCNC(=S)Nc1ccc(C)c(N2CCCC2=O)c1)c1ccc(C)cc1	225734902	JXDOJFTZXCRQEU-UHFFFAOYSA-N	424.614	4.633	10	40	HJCB	
CCOc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(O)cc3)C2=O)cc1	408751932	AMWBVUONZIMGLN-PXLXIMEGSA-N	402.425	4.765	10	40	HJCB	
COc1ccc(CCN2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)cc1OC	12273938	WAIVFAHIXCCEOA-PDGQHHTCSA-N	419.955	4.801	10	40	HJCB	
Cc1ccc(Cl)cc1NCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S	16347718	XNTYFIQFMDLQEY-REZTVBANSA-N	418.927	4.648	10	40	HJCB	
Cc1ccc(C)c(OCCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)c1	33390850	VIWHCXOLPGKBRB-ZHZULCJRSA-N	413.564	4.982	10	40	HJCB	
Cc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C	41083228	GUMDAISEAJLMHH-MQIWZSEOSA-N	405.527	4.678	10	40	HJCB	
CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1	260577795	LNWQRIYADVYMFJ-JXQFQVJHSA-N	410.558	4.966	10	40	HJCB	
CCc1nc(S/C(=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C(=O)O)n[nH]1	408632763	SHEZONVXTFPIRK-PXNMLYILSA-N	420.897	4.785	10	40	HJCB	
Cc1ccc(-c2ccc(/C=C3/C(=O)NN(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1	16311129	XOPDUCWADDMUGY-PDGQHHTCSA-N	412.367	4.735	10	40	HJCB	
C/C(Nc1ccccn1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	103920611	WBUJHOWBHVCIAM-HKWRFOASSA-N	411.490	4.828	10	40	HJCB	
CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1	219358584	NZLQBXWAUCBSCK-NTKDMRAZSA-N	410.558	4.966	10	40	HJCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cc4cc(C)cc(C)c4)cc3)C2=O)cc1	408865387	CCSZVHCNKILZJF-LFVJCYFKSA-N	424.500	4.869	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2cc(C(=O)O)ccc2C)c1C	408901488	FXXOHOUYVRZQSE-LPYMAVHISA-N	413.477	4.907	10	40	HJCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccccc4)o3)C2=O)cc1	2211115	WJNBAZUTAPAPDG-XMHGGMMESA-N	418.474	4.660	10	40	HJCB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21	6713131	XBYNYXOFLODSKE-JCGVRSQUSA-N	401.806	4.992	10	40	HJCB	
Cc1onc(-c2ccccc2)c1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	8744708	KLTBNBFOIVMWAJ-QFIPXVFZSA-N	419.525	4.537	10	40	HJCB	
COc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cc1C(C)C	223289836	PUMSXMXGFMGCOU-UHFFFAOYSA-N	416.587	4.596	10	40	HJCB	
Cc1cc(Cl)ccc1OCc1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O	7987365	TVSBLTVJMWFXKF-UHFFFAOYSA-N	402.837	4.879	10	40	HJCB	
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1ccccc1	100525252	DCEWLGWTZTTZSD-BFQBXFRASA-N	406.427	4.593	10	40	HJCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C	222621060	RLBWTCVAASVFEX-DQLDELGASA-N	403.555	4.782	10	40	HJCB	
CCCOc1ccccc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O	408600901	GUQWKCSVQNEYHI-ATVHPVEESA-N	400.481	4.789	10	40	HJCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)ccc1O	409341927	CINCNSKHWHGODS-LICLKQGHSA-N	403.550	4.919	10	40	HJCB	
CCOc1c(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cccc1OC	409351313	TVTDAJBOVJYZLY-SFQUDFHCSA-N	401.509	4.508	10	40	HJCB	
Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1-c1ccc(C(C)C)cc1	7748069	DNYQASVYRAMFQQ-UHFFFAOYSA-N	418.324	4.964	10	40	HJCB	
COc1ccc2nc(Cl)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)cc2c1	13731101	WZJDBFVTFZQAHY-CXUHLZMHSA-N	416.911	4.891	10	40	HJCB	
CCN1/C(=C2/SC(=S)N(c3ccc(O)cc3)C2=O)Sc2ccc(OC)cc21	33923740	DWYGAMBKUIUBPO-VLGSPTGOSA-N	416.549	4.567	10	40	HJCB	
CCOc1ccc2nc(Sc3ccc(/C=C4\SC(=S)NC4=O)o3)sc2c1	408989085	GXBHZDWHYWJJDP-JYRVWZFOSA-N	420.562	4.928	10	40	HJCB	
CCc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1	790141	XFSNPTIUIFETPX-UHFFFAOYSA-N	406.467	4.685	10	40	HJCB	
COc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)n1Cc1ccccc1)[C@@H](C)N2C	19720074	RQDLBJJNXSFPPA-IPEVAPCJSA-N	423.516	4.832	10	40	HJCB	
CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)c1C	103604789	LJVXMFZXXBQDFT-BPHBXOPHSA-N	406.511	4.660	10	40	HJCB	
CCOc1ccc2c(c1)c(C(=O)NCc1ccc(N3CCCCC3)cc1)c(C)n2C	141582456	ZABWWAAMDILIKI-UHFFFAOYSA-N	405.542	4.806	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)C1	260466373	RVMDXPRMBCSOCS-GJZGRUSLSA-N	401.894	4.976	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3cccc(C)c3)C2=O)c(OC)c1	408760652	CLLQQNLQKXDJTJ-HYARGMPZSA-N	416.452	4.986	10	40	HJCB	
Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)c1C	4555097	HYPDOIOMLRKUMC-UHFFFAOYSA-N	406.467	4.739	10	40	HJCB	aggregator
Cc1cccc(OCCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)c1C	33391826	GDYIVCJHXTWWFR-ZHZULCJRSA-N	413.564	4.982	10	40	HJCB	
Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc(C)c1O	38206847	HQXVIUGUCKTVNP-UHFFFAOYSA-N	412.445	4.592	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)C)c(OC)c3)SC2=S)cc1	57546834	WZVKLXBZEHRWOH-XDHOZWIPSA-N	415.536	4.897	10	40	HJCB	
CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O	409243950	ZNERMLWOGZFUDS-ZGPWBKFBSA-N	422.550	4.819	10	40	HJCB	
O=C1N=C(N2CCN(c3cccc4ccccc34)CC2)S/C1=C\c1cccs1	1183444	KPBNEDHXQOIWIK-HKWRFOASSA-N	405.548	4.694	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OCC)c(OC)c3)SC2=S)cc1	5959341	NRUKKABNNZRBCX-CPNJWEJPSA-N	415.536	4.898	10	40	HJCB	
O=C1/C(=C/c2ccccc2Br)SC(=S)N1c1ccc([N+](=O)[O-])cc1	59459821	CIXSNWYNEDFKIO-ZROIWOOFSA-N	421.297	4.763	10	40	HJCB	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@H](C)Oc3ccc4c(c3)CCCC4)cc2)C1	260790480	FBUJKPIXJLNKRT-PMACEKPBSA-N	406.570	4.885	10	40	HJCB	
CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)SC1=S	409339001	CZUBJZDVCWMGEM-YBEGLDIGSA-N	420.353	4.859	10	40	HJCB	
Cc1cc(Br)cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)c1O	5697765	SBWHXMPALJFANR-NTEUORMPSA-N	412.374	4.997	10	40	HJCB	
Cc1ccc(NC(=O)CC(=O)n2nc(C)c(/N=N/c3ccccc3C(=O)O)c2C)cc1	16957716	UDKJZSBCHUOBAD-OCOZRVBESA-N	419.441	4.591	10	40	HJCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C	222875973	BXUBKYZMUTVCDI-YADHBBJMSA-N	406.555	4.577	10	40	HJCB	
O=C1NC(=S)S/C1=C\c1cc(Br)ccc1OCc1ccccc1	2742665	XIVAQTCLHLLXCL-DHDCSXOGSA-N	406.326	4.517	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(O)c(Br)c3)SC2=S)cc1	8749232	HEFKAUYVLSGPGC-OQLLNIDSSA-N	422.325	4.569	10	40	HJCB	
C[C@@H](NC(=O)C1(c2cccc(F)c2)CCOCC1)c1ccc(N2CCCCC2)cc1	19662157	JCGCNSRZNXXIKY-LJQANCHMSA-N	410.533	4.742	10	40	HJCB	
CC1CCN(C(=O)CCCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)CC1	27229689	YGFZIXZAFYYZPL-GHRIWEEISA-N	423.003	4.580	10	40	HJCB	
CCc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)c(C)c3)C(O)=NC2=S)cc1	59104839	WFQXIAQXJZLEGM-HKWRFOASSA-N	419.550	4.829	10	40	HJCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCc2cccs2)cc1	112289664	WCYAZMSGDVSDOM-QNGOZBTKSA-N	421.497	4.711	10	40	HJCB	
COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1c(O)ccc2ccccc12	408893977	PKTWQBWTMLIZJZ-AABCQZNVSA-N	413.473	4.979	10	40	HJCB	
Cc1ccccc1OCCOc1ccc(Cl)cc1/C=C1\SC(=S)NC1=O	4590251	UYWYYJQQCJPFDK-BOPFTXTBSA-N	405.928	4.595	10	40	HJCB	
CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc3cccc(Cl)c3n2)SC1=S	13719272	YSMSNURKAJQZML-MFYHJKBNSA-N	420.943	4.733	10	40	HJCB	
COc1cc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)ccc1OCc1ccccc1	639494	LCFADKSGKRVLMQ-JCMHNJIXSA-N	422.550	4.976	10	40	HJCB	
CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)N=C2S1	5162641	LHZDDKHEGURZJX-DODDZMEZSA-N	411.918	4.777	10	40	HJCB	
O=C1N=C(N2CCCCC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccco1	8117859	GELJWZMECFMRJF-RGEXLXHISA-N	404.495	4.589	10	40	HJCB	
COc1cc(NC(=O)CNc2ccc(Cl)cc2C(=O)c2ccccc2)cc(OC)c1	9396699	NCJZHWZLQFCJER-UHFFFAOYSA-N	424.884	4.639	10	40	HJCB	
C/C(=C\C(C)(C)O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1O	80325263	IRXSLUBFQMMKPQ-KQDNUWKFSA-N	415.331	4.981	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)N=C2c2ccccc2)cc1	2332218	NWZQAAOWGMYFPK-RCCKNPSSSA-N	414.461	4.547	10	40	HJCB	
O=C(NCCC12CC3CC(CC(C3)C1)C2)c1nc(-c2ccc(-n3cccc3)cc2)no1	4710404	ZPRLGUXQNNHJTC-UHFFFAOYSA-N	416.525	4.864	10	40	HJCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NC1CCCC1	4745327	ILXUTQPYSZYLPP-SDXDJHTJSA-N	402.585	4.507	10	40	HJCB	
CCOC(=O)C1=C(C)N=C(SCc2cccc(C)c2)N[C@H]1c1ccc(N(C)C)cc1	408990604	OFIGKHGKCZKJFV-QFIPXVFZSA-N	423.582	4.832	10	40	HJCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)C1=O	409236710	GRPOZUXKJQDKCN-LFIBNONCSA-N	424.815	4.714	10	40	HJCB	
O=C(Cn1ncc(Cl)c(Cl)c1=O)Nc1ccc(/N=N/c2ccccc2)cc1	5992531	HUVFKFICJPGATJ-WCWDXBQESA-N	402.241	4.604	10	40	HJCB	
CCCn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c2ccccc21	9424225	DOTTWLQCXBZYKV-FOWTUZBSSA-N	423.925	4.536	10	40	HJCB	
Cc1ccc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)cc(=O)c2c1	15831187	ZVUVEMQIRAWFHI-UHFFFAOYSA-N	416.477	4.603	10	40	HJCB	
Cc1c(Cl)cccc1NC(=S)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	16183698	ZHNQWBPZTRJCPG-UHFFFAOYSA-N	404.801	4.889	10	40	HJCB	
Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C(F)(F)F)n3C)c2C)cc1	6790083	YKXNHJNVHCPUOF-UHFFFAOYSA-N	408.449	4.525	10	40	HJCB	
CCN(CC)c1ccc(N/C=C2/C(=O)N(CCC3=CCCCC3)C(=O)N=C2O)cc1	103129842	RFMOXJHOOXIYIA-CAPFRKAQSA-N	410.518	4.638	10	40	HJCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2ccc(Cl)cc2)cc1	108250510	YDOKNMQQOZVDSM-ZHZULCJRSA-N	406.894	4.953	10	40	HJCB	
Cc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(C)n1-c1cccnc1	408969636	RHHLQVWQGBWQEF-UNOMPAQXSA-N	410.399	4.838	10	40	HJCB	
CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccc[nH]4)o3)c2C)cc1	18366779	ABBVNAUBRAWHPZ-UHFFFAOYSA-N	422.510	4.846	10	40	HJCB	
Cc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(C)n1-c1ccccc1F	25464972	FMVLYSRFAMWOAV-UHFFFAOYSA-N	405.517	4.628	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@H]1c1ccc(N(C)C)cc1	33778006	RZJKCKVNGHRLQR-NRFANRHFSA-N	409.555	4.870	10	40	HJCB	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1ccc(C(=O)O)cc1	100510876	DHEKHMMWDBHFOK-FTGFMQHASA-N	419.466	4.692	10	40	HJCB	
CCn1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21	409345363	LIUYVQDUQQPOAT-OCKHKDLRSA-N	408.504	4.796	10	40	HJCB	
COc1ccc(/C=C2\SC(=S)N(c3ccccc3Br)C2=O)cc1	16916219	KVOQEQDMMVLIQF-GDNBJRDFSA-N	406.326	4.864	10	40	HJCB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(OC)cc12	103918463	NEDVYIQVFQFFPT-ULJHMMPZSA-N	416.525	4.786	10	40	HJCB	
CC[C@H](C)n1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21	408893539	BAFGIYFWYWVWGB-RSZPVBOMSA-N	415.493	4.896	10	40	HJCB	
CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1	409246867	KIKYFBFTONDJSG-YIRPMMGJSA-N	422.550	4.819	10	40	HJCB	
O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1nccs1	1805192	QFLUREJKQPCWOW-QBFSEMIESA-N	423.610	4.605	10	40	HJCB	
O=C1/C(=C/c2ccccc2[N+](=O)[O-])N=C(c2ccc(Cl)cc2)N1c1ccc(O)cc1	2982511	STAVCKJUZJHUBO-UYRXBGFRSA-N	419.824	4.788	10	40	HJCB	
COc1cc(C2=NN(C(=O)[C@@H](OC)c3ccccc3)[C@H](c3cccs3)C2)ccc1O	95946430	XNFQKMJGCXDQLX-AVRDEDQJSA-N	422.506	4.528	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F	409001672	QEQAGIWUYQNUCN-ATVHPVEESA-N	417.383	4.591	10	40	HJCB	
CCCCOc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	12062799	KVYYMWMQSDXWDH-JOCHJYFZSA-N	410.558	4.753	10	40	HJCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)cc3OC)N21	260766199	JGJQYFASUVSPRI-XGRCMKMKSA-N	408.571	4.670	10	40	HJCB	
CCCCCCOc1c(Cl)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1OCC	408540405	RHUWEKHNKCVAKA-SFQUDFHCSA-N	424.950	4.804	10	40	HJCB	
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1cccc([N+](=O)[O-])c1	5174104	KFQRFUQCUCEULY-QGOAFFKASA-N	413.389	4.974	10	40	HJCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(O)cc1	8820489	IHPCRMOCDIJLGK-DURWOYGOSA-N	424.547	4.569	10	40	HJCB	
CC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N21	9282663	WRPSQJOSQVCKJA-SDHOMARFSA-N	419.480	4.709	10	40	HJCB	
CCc1ccc2oc(-c3cc(NS(=O)(=O)c4ccc(C)cc4)ccc3O)nc2c1	9421816	KSWNKUOBIGNZJI-UHFFFAOYSA-N	408.479	4.872	10	40	HJCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)nc1	260755994	CRGHJMMWLMDKPV-URZJWIJPSA-N	403.555	4.782	10	40	HJCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1	408769245	MDIUWCYEWQTYNI-HMAPJEAMSA-N	405.494	4.691	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1c(Cl)cccc1Cl	408895637	UUQAAEVISWDSHJ-WJDWOHSUSA-N	418.276	4.879	10	40	HJCB	
CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3OCC)C2=O)cc1OC	1241901	KKMSXRXQCOSGIR-UYRXBGFRSA-N	415.536	4.898	10	40	HJCB	
COC(=O)c1ccc(C)c(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)o2)c1	4544550	VPTXMMKWCKGOOR-STZFKDTASA-N	400.434	4.848	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(OC)c4)c3C)C(=O)N=C2S1	5163454	XESDPSROSOINIW-FNGBSHHDSA-N	421.526	4.522	10	40	HJCB	
CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)C(=O)N=C2S1	6349593	OICSQKOGIXEGCQ-BPHBXOPHSA-N	405.527	4.740	10	40	HJCB	
Cc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3Cl)C(=O)N=C2O)cc(C)c1O	38163798	UUABRQHKSVLBSE-XYOKQWHBSA-N	405.237	4.823	10	40	HJCB	
CN1/C(=C\C=C2/Sc3nc(-c4ccccc4)cc[n+]3C2=O)C(C)(C)c2ccccc21	5737273	YTQBYAUDKQHTMC-JZTLMNBPSA-N	412.538	4.977	10	40	HJCB	
O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccs1	408623163	RBWLRYWQROQZFS-UHFFFAOYSA-N	400.912	4.759	10	40	HJCB	
COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O	409334373	XJVDPARVPFWPOZ-RGVLZGJSSA-N	421.499	4.983	10	40	HJCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1OC	1416455	BGSLVWVKSBPUDD-CPNJWEJPSA-N	414.552	4.566	10	40	HJCB	
c1csc(C2=NN3[C@H](c4ccc(N5CCOCC5)cc4)Oc4ccccc4[C@H]3C2)c1	5572460	XZAVUHKDEYOGSS-QPPBQGQZSA-N	417.534	4.827	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)ccc1O	15008587	XHWZKQIMHYGMFE-OVCLIPMQSA-N	422.325	4.569	10	40	HJCB	
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(F)c1	5370848	BTGASIKFQZANFX-KGTQDBRDSA-N	412.511	4.612	10	40	HJCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1	8557338	MBJHPHBCKZUNPV-PDGQHHTCSA-N	406.825	4.575	10	40	HJCB	
C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(N2CCCCC2)cc1	141561616	DMFKFNOSXOTQHG-MRXNPFEDSA-N	406.448	4.779	10	40	HJCB	
C[C@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1	219231403	OFNNXPPQRJGZQO-UXHICEINSA-N	419.569	4.536	10	40	HJCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4C)C3=O)cc2)c1	408865210	BXMYBHUOZNZOME-XQNSMLJCSA-N	424.500	4.869	10	40	HJCB	
Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1	408999222	QBYVFJUSJINOIW-OCEACIFDSA-N	422.510	4.718	10	40	HJCB	
CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1	4182156	NJEMJYKEOFGEEM-PDGQHHTCSA-N	411.889	4.691	10	40	HJCB	
Cc1cc(C(=O)CSc2nccn2Cc2ccccc2)c(C)n1-c1ccccn1	9914973	WMEQRGUGXMLSCO-UHFFFAOYSA-N	402.523	4.709	10	40	HJCB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	14009512	RTAGLIUBFPBNGY-UNOMPAQXSA-N	410.489	4.562	10	40	HJCB	
COc1ccc(/C=C\C=C2/C(=O)N(c3c(F)c(F)c(C)c(F)c3F)N=C2C)cc1	35305184	XUJDLMVIZGWRIA-AFEMUGOASA-N	404.363	4.922	10	40	HJCB	
Oc1cccnc1N[C@@H](c1ccc(OC(F)F)cc1)c1ccc2cccnc2c1O	54114293	CYIOQPFKBMXKKE-SFHVURJKSA-N	409.392	4.844	10	40	HJCB	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cc(Cl)ccc1Cl	112286115	WTSSTPOZALJMLC-UNOMPAQXSA-N	418.280	4.645	10	40	HJCB	
CCOc1ccccc1N1C(=O)/C(=C\c2cc(OC)ccc2OC)SC1=S	5967658	XXZRPEDKQXRZHC-LDADJPATSA-N	401.509	4.508	10	40	HJCB	
O=C1/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1Cc1ccco1	13590953	KSBNUOGKSIBFSX-LICLKQGHSA-N	412.448	4.849	10	40	HJCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1ccc(Cl)cn1	408529796	KARVZUXQEGMUGC-ZROIWOOFSA-N	405.683	4.524	10	40	HJCB	
COC(=O)[C@@H](Oc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C)c1ccccc1	4747420	FJDHRKQDARAKNC-QFIPXVFZSA-N	404.418	4.556	10	40	HJCB	
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1	5720375	GVUUCNULVOTOIV-QGOAFFKASA-N	413.429	4.570	10	40	HJCB	
O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc2ccccc2c1	6133631	PTJKHSUZWYHNJF-GZTJUZNOSA-N	410.545	4.741	10	40	HJCB	
Cc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc(N4CCCCCC4)cc3)C2=O)c1	6276219	FAPFRWHIBAGDAI-PGMHBOJBSA-N	403.482	4.882	10	40	HJCB	
COc1ccc(C(C)=O)cc1C[C@@H](C(=O)c1cc(C)n(-c2ccccc2)c1C)N(C)C	58160589	DYQCELXZGQDHND-DEOSSOPVSA-N	418.537	4.661	10	40	HJCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C	222973134	VOFXEWITYYVDCP-PKTZIBPZSA-N	419.598	4.965	10	40	HJCB	
COC(=O)c1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(F)cc3)C2=O)cc1	408761432	KCYPOLASHYZFDM-PXLXIMEGSA-N	414.436	4.755	10	40	HJCB	
CC[C@H](C)n1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21	408901747	ZSFUIIBPJWCQGR-BXUJETTOSA-N	421.884	4.932	10	40	HJCB	
Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1	882766	AJZYCLUWDCVNLC-UHFFFAOYSA-N	406.467	4.739	10	40	HJCB	
COc1ccc(OC)c(NC(=O)c2c(NCc3ccccn3)sc3c2CCC3)c1	920830	UPCPVFOSJZKMOL-UHFFFAOYSA-N	409.511	4.513	10	40	HJCB	
COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1ccccc1O	19326087	IUWIWUFWBAWPRJ-UHFFFAOYSA-N	418.537	4.816	10	40	HJCB	
O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccccc1OCc1ccccc1	409132550	KAJHXLRPVKHWAO-QNGOZBTKSA-N	414.486	4.666	10	40	HJCB	
COc1ccc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1OC	4677358	FEMZGFIKSGQTKP-JWGURIENSA-N	422.550	4.629	10	40	HJCB	
COc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OC(C)C	4860090	DDMCXZDQULFCSF-NUIIPWOLSA-N	419.506	4.787	10	40	HJCB	
CCOc1ccccc1/C=C1\C(=O)N(c2ccc(F)c(Cl)c2)C(C)=C1C(=O)OC	6965154	QVZDJRWRLSWJCP-WJDWOHSUSA-N	415.848	4.755	10	40	HJCB	
CC(C)Cc1ccc([C@H](C)C(=O)NN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1	1245392	IPYXSGOEVYWWMZ-IEOAWGNMSA-N	424.591	4.921	10	40	HJCB	
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21	6952794	CVAFPBDCYCBMGV-OAVHHTNSSA-N	401.806	4.992	10	40	HJCB	
C[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	65222364	VVSVEVJYTGZHAA-AWEZNQCLSA-N	409.477	4.590	10	40	HJCB	
COc1ccc(N2N=C(C)/C(=C(\C)NCCSc3ccc(Cl)cc3)C2=O)cc1	103916387	PSDNHIIPOAENSD-ZHZULCJRSA-N	415.946	4.727	10	40	HJCB	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cc(OC)ccc1OC	112286563	DMPCGQAMJAVIBB-JCMHNJIXSA-N	409.486	4.601	10	40	HJCB	
C[C@](CCCCN=[N+]=[N-])(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	202834698	RMUCLSZPXSHUDT-JOCHJYFZSA-N	408.458	4.849	10	40	HJCB	
CCOc1cccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1	408870569	TWJDLTFOINOFPY-UHFFFAOYSA-N	412.445	4.669	10	40	HJCB	
Cc1ccc(N2C(=O)C(=Cc3ccsc3)C(=O)N(c3ccc(C)cc3)C2=O)cc1	2532811	BDVAJXPOHFKVHO-UHFFFAOYSA-N	402.475	4.948	10	40	HJCB	
Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1/N=N/c1ccccc1C(F)(F)F	5162234	DIAXRUOBYBLEJE-GHVJWSGMSA-N	411.361	4.809	10	40	HJCB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc21	208221609	SDUXGKGQOMJPCW-GEYIUBJWSA-N	407.489	4.641	10	40	HJCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C	222883373	FVAJINXIYXKTAB-YADHBBJMSA-N	405.571	4.575	10	40	HJCB	
CC(C)(C)OC(=O)N1[C@H](Cc2ccc(N)cc2)CC[C@H]1[C@@H](O)c1cccc(Cl)c1	1547139876	UAPLKNUNESKRIW-ACRUOGEOSA-N	416.949	4.966	10	40	HJCB	
Cc1cc(C)cc(OCCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)c1	33430078	ZQRIVIXKOJOZSY-ZHZULCJRSA-N	413.564	4.982	10	40	HJCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(=O)OC)ccc1O	59959254	KTDJQOVTGLABGL-MOSHPQCFSA-N	421.493	4.792	10	40	HJCB	
CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O	409329712	HPWZCEROCSOUFA-UZPSYVQNSA-N	413.520	4.998	10	40	HJCB	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)c(OCC)c1	2257975	ASAAOJZPIVZEEE-XDHOZWIPSA-N	415.536	4.898	10	40	HJCB	
CCc1ccccc1NC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	1263257	OKEQDYNLMCTTEN-YCZKWLMNSA-N	408.548	4.645	10	40	HJCB	
COc1ccc(OC)c(/C=C2\SC(Nc3cccc(Br)c3)=NC2=O)c1	2259730	TWMZIEVBTYYECO-SXGWCWSVSA-N	419.300	4.549	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C/c3ccccc3Br)SC2=S)cc1	9188485	AWCBBLTZZVGVTQ-GDNBJRDFSA-N	406.326	4.864	10	40	HJCB	
C[C@@H](c1ccccc1)N(Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1ccccc1O	95410938	NDINBQQBQWOCIT-KRWDZBQOSA-N	419.912	4.817	10	40	HJCB	
O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1ccc(Cl)cc1	1182851	YRCQLSIGVOVFAG-PDGQHHTCSA-N	418.349	4.786	10	40	HJCB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCc1ccc(F)cc1	1219432	QLDOGEQUKNLSRO-SXGWCWSVSA-N	423.918	4.946	10	40	HJCB	
COc1ccc(-c2cc3ccc(O)c(CN4CCCCCC4)c3oc2=O)c(OC)c1	4088944	VOBOQLHWHJWFCX-UHFFFAOYSA-N	409.482	4.559	10	40	HJCB	biogenic
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(-c2ccc(Cl)cc2)o1	16134873	QOQABVABYVNWMT-UHFFFAOYSA-N	410.901	4.709	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc(C(=O)O)c1	207363683	NEDZPGODEWHHOO-PXLXIMEGSA-N	412.445	4.770	10	40	HJCB	
CC1=CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccc(C)cc4)C3=O)cc21	208441740	WLLYPCWBQPTZNL-BKUYFWCQSA-N	401.510	4.720	10	40	HJCB	
CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c1C	225695895	UEICZQMAXWUQLT-QGZVFWFLSA-N	411.571	4.820	10	40	HJCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1	408936428	GIDHNSKGUWCWPY-PXLXIMEGSA-N	414.436	4.847	10	40	HJCB	
CCOC(=O)c1c(C)sc2c1N(C(=O)CN(CC)CC)c1ccccc1S2	978743	GTVRFNQJFDOHIH-UHFFFAOYSA-N	404.557	4.704	10	40	HJCB	
O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)O)N2)c1ccc(Cl)cc1Cl	4371931	FXXMVOQVYPYDOI-VEVIJQCQSA-N	403.265	4.784	10	40	HJCB	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1	5643873	MOOIHTKANFPWQY-UHFFFAOYSA-N	416.399	4.908	10	40	HJCB	
CCOc1cc(N(CC)CC)ccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21	222604592	ZCDOPRAYMMKXIS-USCONSEESA-N	410.587	4.916	10	40	HJCB	
COc1ccc(/C=C2\C(=O)N(c3ccc(Br)c(C)c3)N=C2C)cc1OC	678793	WKDAGEGEGZUVSZ-YBEGLDIGSA-N	415.287	4.581	10	40	HJCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc4ccccc4c3)C2=O)c1	9934894	BQJZLULGMNDVLW-XQNSMLJCSA-N	421.456	4.605	10	40	HJCB	
O=C1/C(=C\Nc2cccc(Cl)c2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1	13880264	DXQDTIFDZNFFQI-ZHZULCJRSA-N	418.840	4.995	10	40	HJCB	
COc1ccc2c(/C=C3\SC(=S)N(c4ccc(O)cc4)C3=O)c(C)n(C)c2c1	57434723	GAIVAKAMOPDGKU-ODLFYWEKSA-N	410.520	4.607	10	40	HJCB	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1cccc([N+](=O)[O-])c1	100511033	NHZJPKFQCYJGCD-CCWVLBSLSA-N	420.454	4.902	10	40	HJCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccn4)c3C)N21	222681747	OVWLCDKNDGWDNV-VOQZNFBZSA-N	403.555	4.864	10	40	HJCB	
Cc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])c(C)n1-c1ccc(Cl)c(Cl)c1	409333839	JUSWAPDPVZIFTJ-ZZXKWVIFSA-N	421.240	4.681	10	40	HJCB	
COc1ccc(CCN2C(=O)/C(=C/C3=Cc4ccccc4O[C@H]3C)SC2=S)cc1	16733492	UPBVZJHIECCWCW-JTMDUIFQSA-N	423.559	4.846	10	40	HJCB	
C[C@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1	225671423	YSYIKQPTUILWHK-MSOLQXFVSA-N	424.614	4.672	10	40	HJCB	
COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C	408588843	ZOGJTBOKIPDLIS-UHFFFAOYSA-N	415.898	4.689	10	40	HJCB	
COc1ccc2nc(Sc3ccccc3)c(/C=C3\SC(=S)NC3=O)cc2c1	13801729	AEMVILHZAQFECT-BOPFTXTBSA-N	410.545	4.883	10	40	HJCB	
Cc1cccc(NC(=O)CN2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)c1C	16745652	JVIBQVIQXCMABZ-MMWWNLEXSA-N	408.548	4.700	10	40	HJCB	
CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S	54360600	HHQBOTMFWFHPJF-DISPHTKASA-N	419.499	4.786	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3Br)SC2=S)cc1	58602509	AWCBBLTZZVGVTQ-XNTDXEJSSA-N	406.326	4.864	10	40	HJCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccc(F)cc2)c1	408760689	DEYBKJXZKIROHI-KGENOOAVSA-N	400.409	4.667	10	40	HJCB	
COc1cccc(/C=C2\SC(=S)NC2=O)c1OCc1cccc2ccccc12	4677297	UQTMMLNDXPEICO-UNOMPAQXSA-N	407.516	4.916	10	40	HJCB	
Cc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S	6208292	ZHURHQSGYUFJKG-SFQUDFHCSA-N	416.955	4.878	10	40	HJCB	
Cc1cccc(NC2=NC(=O)/C(=C/c3ccccc3I)S2)c1	97990562	ILGVHWZDVFYXRG-GDNBJRDFSA-N	420.275	4.682	10	40	HJCB	
CCOC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc2c1CCCC2	100922619	SZVZGMCVCFVERM-GHRIWEEISA-N	409.511	4.522	10	40	HJCB	
CCN(CC)c1ccc(CNC(=O)COc2cc(C)c(Br)c(C)c2)cc1	225827283	ZXCRAKYCJCIBQC-UHFFFAOYSA-N	419.363	4.607	10	40	HJCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2F)N1c1ccc(F)cc1	408753510	JHPJFWRGGZJIHZ-YBFXNURJSA-N	404.372	4.528	10	40	HJCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)NC1=S	409249549	NLMJAPVUWUELIU-SFQUDFHCSA-N	422.893	4.740	10	40	HJCB	
O=C(O)CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S	1054993	MUONFKWHAMHQSG-WUXMJOGZSA-N	414.291	4.539	10	40	HJCB	
CC(C)C1=NN2C(=N)/C(=C\c3ccccc3OCc3ccc(F)cc3)C(=O)N=C2S1	9300420	CQSXMXKEZIMSRZ-JNTYBJLZSA-N	422.485	4.680	10	40	HJCB	
CN1CCCc2cc([C@@H](CNC(=O)C34CC5CC(CC(C5)C3)C4)N3CCCC3)ccc21	13008209	MXNSDSSOVBONFJ-XTOQWRRBSA-N	421.629	4.539	10	40	HJCB	
Cc1cccc(OCCn2cc(/C=C3\SC(=S)N(C)C3=O)c3ccccc32)c1	19798410	MTRFWYJEPQYJDL-MOSHPQCFSA-N	408.548	4.860	10	40	HJCB	
CCOC(=O)CCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S	28048185	IEMAZDCERFZUDJ-NBVRZTHBSA-N	413.520	4.633	10	40	HJCB	
O=C(Nc1ccc(-c2nccs2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1	48263635	BYGSPLCCJMPKHP-LJQANCHMSA-N	409.511	4.729	10	40	HJCB	
O=C1/C(=C\c2cccc(Br)c2)N=C(c2ccccc2)N1c1ccc(O)cc1	408840748	FJQJYCHYJPVNNF-XSFVSMFZSA-N	419.278	4.989	10	40	HJCB	
CC1(C)C[C@](C)(c2ccc(O)cc2O)N(c2cccc(C(F)(F)F)c2)C(=S)N1	1023134	GAMGOBHIXZHWAS-LJQANCHMSA-N	410.461	4.895	10	40	HJCB	
COCCN1C(=O)/C(=C\C2=Cc3ccccc3O[C@@H]2c2ccccc2)SC1=S	6008143	ZZFJMVHLUXUJDC-IAERKFLBSA-N	409.532	4.594	10	40	HJCB	
COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(=O)O)cc2[C@@H]2C=CC[C@H]21	13389181	NZGRRGAZVGOZOV-PJIJBLCYSA-N	400.272	4.982	10	40	HJCB	
Cc1ccc(-c2nn(CN(C)Cc3ccc(N(C)C)cc3)c(=O)c3ccccc23)cc1	36398081	UDKWOLUZAMXJHV-UHFFFAOYSA-N	412.537	4.527	10	40	HJCB	
O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(OCc2ccccc2)cc1	409146385	SODRDBAQKQBCAB-QNGOZBTKSA-N	414.486	4.666	10	40	HJCB	
COc1ccc2c(COC(=O)c3ccc(-n4c(C)ccc4C)cc3)cc(=O)oc2c1	4541470	NCWUJGJVKUWDBM-UHFFFAOYSA-N	403.434	4.566	10	40	HJCB	
Cc1ccc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1	5370837	SDYLNWLFAFBVRX-VNVABUEJSA-N	408.548	4.781	10	40	HJCB	
COCCN1C(=O)/C(=C\C2=Cc3ccccc3O[C@H]2c2ccccc2)SC1=S	6008146	ZZFJMVHLUXUJDC-SSUIOBEFSA-N	409.532	4.594	10	40	HJCB	
Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2ccc(N3CCOCC3)cc2)cc1	7883957	KEFOOHPXMNHDBT-RUZDIDTESA-N	413.521	4.598	10	40	HJCB	
CCCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)cc1OCC	59861485	BSRJYSYKNKYLHY-QGOAFFKASA-N	422.481	4.998	10	40	HJCB	
Cc1ccc(SCC2=NN(c3nc4ccccc4s3)C(=O)/C2=C/NC2CC2)cc1	100143860	GITACTWWQOWBIT-SFQUDFHCSA-N	420.563	4.736	10	40	HJCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)C2=O)cc1	9076058	GXMYHVRCCHZRJQ-AQTBWJFISA-N	420.852	4.829	10	40	HJCB	
CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)S1	32110020	LQYHWCLAFWJJST-RQZCQDPDSA-N	421.305	4.679	10	40	HJCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C	222883192	BKYNWIHJQYAPBJ-LEWJYISDSA-N	405.571	4.575	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C/c3cccc(OCc4ccccc4)c3)C(=O)N=C2S1	4594334	FISHPMNGMOWLEL-YEZNUIPASA-N	404.495	4.685	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(N(C)C)cc1	6307877	AHKPRDFAQUSTSO-JWGURIENSA-N	412.489	4.783	10	40	HJCB	
Cc1noc2c1[C@@H](c1ccc(O)c(O)c1)C1=C(O)C[C@@H](c3ccc(O)cc3)CC1=N2	102730444	YDGGCGHWUOAUFB-LHSJRXKWSA-N	404.422	4.708	10	40	HJCB	
COc1ccc(C2=C/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)C(=O)O2)cc1	408740358	BIBMCOCHWUDJSF-RVDMUPIBSA-N	419.389	4.853	10	40	HJCB	
Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccco3)SC2=S)cc1C	1312200	ACITXRYYQWLHSD-ATVHPVEESA-N	400.525	4.517	10	40	HJCB	
O=C1N=C(O)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1	13810322	KDPFFLQVSIFHFE-BOPFTXTBSA-N	410.788	4.610	10	40	HJCB	
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(-n3c(C)ccc3C)nc2)cc1	72216800	AKIGENMDFOHAPV-JOCHJYFZSA-N	409.555	4.713	10	40	HJCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(O)cc1	222616195	LWNHALJQTXGXPR-UZQPLGKSSA-N	404.539	4.784	10	40	HJCB	
COc1ccc(C2=N/C(=C/c3ccco3)C(=O)N2c2cccc(Br)c2)cc1	408761847	HYGXGEUTSXHARZ-CPNJWEJPSA-N	423.266	4.885	10	40	HJCB	
CCCCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O	409003092	DGEQUPFHEJCXNW-PGMHBOJBSA-N	414.461	4.685	10	40	HJCB	
COc1cccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(C)cc4)C3=O)c2C)c1	409249827	LTQPQMDHVWQIPW-QRVIBDJDSA-N	415.493	4.504	10	40	HJCB	
CCCOC(=O)c1c(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)sc2c1CCCC2	2801775	SBKAVKFUPLSCTI-HOTGVXAUSA-N	419.543	4.579	10	40	HJCB	
Cc1cc(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccccc2)no1	9126774	BEXBSKWZOKKVDD-UHFFFAOYSA-N	422.485	4.765	10	40	HJCB	
Oc1c([C@@H](c2cccs2)N2CCN(c3ccccc3)CC2)ccc2cccnc12	19791698	RPHVVIUFERTCNZ-QHCPKHFHSA-N	401.535	4.914	10	40	HJCB	aggregator
CCOc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)cc(Cl)c1O	38170613	IHQDPRAKUJMXOF-MLPAPPSSSA-N	421.236	4.604	10	40	HJCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1	222988332	GRZMJXVVOOOQPW-PKTZIBPZSA-N	420.582	4.962	10	40	HJCB	
Cc1cccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)c1	929897	KKGZTMOTNWJWQA-FQEVSTJZSA-N	407.539	4.768	10	40	HJCB	
CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)OCC)cc3)o2)SC1=S	1024488	KDALUOVPLRUSCO-ATVHPVEESA-N	401.509	4.735	10	40	HJCB	
O=C(NN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S)c1ccccc1F	1465903	UHZYIXLSKKQGTH-PDGQHHTCSA-N	408.479	4.525	10	40	HJCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C	222883249	BKYNWIHJQYAPBJ-NHCUHLMSSA-N	405.571	4.575	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(F)cc3)C2=O)cc1OC	408756630	SXCRIHIJIXIFCL-DEDYPNTBSA-N	420.415	4.817	10	40	HJCB	
CC[C@H](C)n1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21	408918975	RKDMDIABCBECFR-YQNUULROSA-N	421.497	4.583	10	40	HJCB	
CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)O)C3=O)c2C)cc1	409136239	XYGOGYHQJLIMQJ-XDHOZWIPSA-N	412.511	4.558	10	40	HJCB	
Cc1ccc(OCCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)c(C)c1	33391830	OBKUHNLXRBMHBU-ZHZULCJRSA-N	413.564	4.982	10	40	HJCB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)o1	33409660	BVJNGWZNCPYMFE-LDADJPATSA-N	417.377	4.670	10	40	HJCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1	222831423	ZMHNYJAJLNTLME-XZOQPEGZSA-N	420.582	4.879	10	40	HJCB	
CCC1=NN2C(=N)/C(=C\c3ccc(O[C@H](C)c4ccccc4)cc3)C(=O)N=C2S1	4423311	VJQFORICOCHVDZ-KNKWDOGWSA-N	404.495	4.856	10	40	HJCB	
Cc1cccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccnc4)n3C)c2C)c1	44029816	PPFYUKVLSDPWLU-UHFFFAOYSA-N	417.538	4.568	10	40	HJCB	
COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OC	260466401	SCULMEFIUVLDFN-YKQVTMLSSA-N	408.542	4.831	10	40	HJCB	
CCCn1cc(/C=C2\C(=O)N=C(O)N(c3ccc(C)c(C)c3)C2=O)c2ccccc21	2264068	AIBUPZKYGNNCRX-DEDYPNTBSA-N	401.466	4.539	10	40	HJCB	
COc1ccc(-n2c(C)cc(C(=O)COc3ncnc4sc(C)c(C)c34)c2C)cc1	3454939	JAGGRQLNZXLHSJ-UHFFFAOYSA-N	421.522	4.986	10	40	HJCB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(F)c3)C2=O)cc1	13810485	NJYKKNVLHYXPBK-PDGQHHTCSA-N	414.527	4.754	10	40	HJCB	
O=C(c1ccccc1)c1cc(Cl)ccc1N/C=C\c1nnnn1-c1ccc(F)cc1	100988119	DEYCLCPXDDSWOL-SEYXRHQNSA-N	419.847	4.769	10	40	HJCB	
O=C(O)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)cc1	408762737	FYFZIZLXQIIUQQ-DEDYPNTBSA-N	418.836	4.578	10	40	HJCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)C2=O)cc1	408984528	IVQOAYDCBHHPMQ-JCMHNJIXSA-N	419.525	4.839	10	40	HJCB	
O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(Cl)cc1	1266895	TXJBZBZBRUQCCN-PTNGSMBKSA-N	406.916	4.553	10	40	HJCB	
Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	14011328	SWACCBANPOOSCH-FOKLQQMPSA-N	415.537	4.742	10	40	HJCB	
COc1ccc(N/C(C)=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c(OC)c1	17089565	NEEPSLURZVUIQF-QJOMJCCJSA-N	413.477	4.841	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2ccccc2OC)cc1	408846701	YPGKJXBSVCLRII-CJLVFECKSA-N	414.461	4.547	10	40	HJCB	
Cc1cc(-c2ccc(C=C3C(=O)OC(c4ccccc4)OC3=O)o2)cc([N+](=O)[O-])c1C	1406840	RJAUVGSIXGJNAT-UHFFFAOYSA-N	419.389	4.654	10	40	HJCB	
COc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)c1	4824048	DRMKYSCTTQBYTN-UHFFFAOYSA-N	424.250	4.682	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N=C2S1	5144279	HMTDZYGTHYGXHJ-ZXTIBJMCSA-N	405.527	4.822	10	40	HJCB	aggregator
Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccc(OC(F)(F)F)cc1	1652428071	JIFAMIGOTUDMEY-UHFFFAOYSA-N	413.446	4.819	10	40	HJCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(C3CCCC3)c2C)C(=O)NC1=S	654474	DPSAMELFLUKCEX-XSFVSMFZSA-N	421.566	4.614	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)cc1C(=O)O	5374355	IZNIVZZSRWSOJJ-NVNXTCNLSA-N	407.875	4.892	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N=C2S1	5163854	XGEAQJICQZZQIO-ZXTIBJMCSA-N	405.527	4.822	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C/c3cc(C)n(Cc4ccccc4)c3C)C(=O)N=C2S1	33649318	PJSHAJIBWBDIIM-PBOWYIGHSA-N	405.527	4.573	10	40	HJCB	
COc1cc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc(OC)c1OC	36245372	QLNJTUGXNOHXNJ-OAQYLSRUSA-N	417.465	4.563	10	40	HJCB	
COc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccc2F)C(=S)N=C1O	59135707	MPRHUTXDIBRKNU-VBKFSLOCSA-N	406.438	4.659	10	40	HJCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C	222876444	RAURRQBVQSPIAM-GOTSBHOMSA-N	420.582	4.880	10	40	HJCB	
COc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(OC)cc2)cc1	408764361	RFYHCEQZQWRINK-PXLXIMEGSA-N	402.425	4.677	10	40	HJCB	
COc1ccc(C2=NN(C(=O)Nc3ccccc3)[C@H](c3ccccc3O)C2)c(OC)c1	4589344	LEEPYPSEVXHUAV-NRFANRHFSA-N	417.465	4.793	10	40	HJCB	
Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	4661043	SWACCBANPOOSCH-KSEXSDGBSA-N	415.537	4.742	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1	408904763	OHKBKCJBMVMLMR-PXLXIMEGSA-N	413.433	4.980	10	40	HJCB	
Cc1ccc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1C	1263872	VAXDQCZXWOUWRU-CAMSTOTOSA-N	408.548	4.700	10	40	HJCB	
CCCCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(OC)cc3)C(=O)N=C2S1	41083018	ZMZUJVIARGZSOW-QVRVXCEOSA-N	421.526	4.685	10	40	HJCB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(C(=O)OCC)cc1	103918916	MRQZMZYXHLEKBY-QNGOZBTKSA-N	409.461	4.891	10	40	HJCB	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	4156396	XCSSIRYDUCVCGL-AWEZNQCLSA-N	419.864	4.830	10	40	HJCB	
Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O	409329083	CLXADOFDCBXXIS-RGVLZGJSSA-N	424.547	4.730	10	40	HJCB	
CC(C)CN1C(=O)[C@H](Cc2ccccc2OCc2cccc(F)c2)SC1=S	6326122	YGIAPTYHHNBVCB-IBGZPJMESA-N	403.544	4.832	10	40	HJCB	
CCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3c(C)cccc3C)n2)SC1=S	12893782	VGYBAGZTQMIOBT-OQLLNIDSSA-N	417.581	4.666	10	40	HJCB	
O=C(CSCc1ccccc1Br)NCc1ccc(N2CCCC2)cc1	13649273	ZPDXKHUDNOATMS-UHFFFAOYSA-N	419.388	4.599	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1Br	14414510	DTWPVQNYIGJREV-ATVHPVEESA-N	412.283	4.635	10	40	HJCB	
O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2)c1ccc(Cl)cc1Cl	101699513	FXXMVOQVYPYDOI-LXIYXOSZSA-N	403.265	4.784	10	40	HJCB	
O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2)N1c1ccc(O)cc1	408763185	IAGSLOLITVINFE-XSFVSMFZSA-N	419.278	4.989	10	40	HJCB	
O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1	669318	XIVNLCQGJACNPA-GDNBJRDFSA-N	417.223	4.854	10	40	HJCB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1	1151343	IFJUTZZQGNZYGX-CPNJWEJPSA-N	410.564	4.842	10	40	HJCB	
COc1ccc(-c2c(C)c3ccc(O)c(CN4CCC[C@@H](C)C4)c3oc2=O)cc1OC	4353852	IHWFOAYDZVFPCD-OAHLLOKOSA-N	423.509	4.723	10	40	HJCB	biogenic
CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OC)c1	4773059	SPMXAUDSAYVFOR-UHFFFAOYSA-N	407.495	4.902	10	40	HJCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C\NCCC(C)C)cc1	6563643	ATNQHKILKTVDIJ-JXAWBTAJSA-N	420.538	4.575	10	40	HJCB	
Cc1ccccc1OCCn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21	13899496	RKKKQUICQLNAGC-MOSHPQCFSA-N	408.548	4.860	10	40	HJCB	
Cc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1C	4536594	ACITXRYYQWLHSD-SFQUDFHCSA-N	400.525	4.517	10	40	HJCB	
COc1ccccc1/C=C1\SC(=S)N(c2cccc(Br)c2)C1=O	13712277	VUSLUXGKEGVRMG-DHDCSXOGSA-N	406.326	4.864	10	40	HJCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)nc1	222838247	UZSTYKZLXNPFRB-VXKWHMMOSA-N	405.571	4.573	10	40	HJCB	
COc1c(Br)cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1[N+](=O)[O-]	408743704	UMAWBLFUJNWEDK-VGOFMYFVSA-N	416.227	4.656	10	40	HJCB	
CN(C)c1ccc([C@H]2CC(C(C)(C)C)=NN2S(=O)(=O)c2ccc(Cl)cc2)cc1	32925231	GXFFQYNBZWEUFS-LJQANCHMSA-N	419.978	4.944	10	40	HJCB	
Cc1cc(CN(C)C(=O)c2ccc3nc(Cl)n(C)c3c2)c(C)n1-c1ccccc1	222563475	FKOFRAGHKGUAOM-UHFFFAOYSA-N	406.917	4.906	10	40	HJCB	
Cc1ccc(C)n1-c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	3997654	DJRFYXMPPZVVLW-UHFFFAOYSA-N	405.317	4.657	10	40	HJCB	
CCN(CC)c1ccc([C@@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)cc1	6418097	KFOVOIRHTHHQOU-SFHVURJKSA-N	410.568	4.969	10	40	HJCB	
Oc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)cc1O	35606464	HENOKCVBWFSVIT-UHFFFAOYSA-N	409.829	4.581	10	40	HJCB	
O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1	59417983	XUZOAQXEVXOYLD-ZSOIEALJSA-N	421.297	4.763	10	40	HJCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C	222972593	AKHJSNJPDWGMRS-PKTZIBPZSA-N	419.598	4.965	10	40	HJCB	
CCN(CC)c1ccc(/C=C2/SC(=S)N(C(=O)c3ccccc3F)C2=O)cc1	408719058	IDDVSBUGUBGKRB-QGOAFFKASA-N	414.527	4.714	10	40	HJCB	
Cc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(F)cc2)cc1	408764340	TVKBTQKYAOBYKS-UDWIEESQSA-N	400.409	4.697	10	40	HJCB	
Cc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)c1C	4536581	JPIWMBZMKYOTFW-SFQUDFHCSA-N	400.525	4.517	10	40	HJCB	
CCOC(=O)c1c(NC(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)sc2c1CCCC2	4845000	HFTWIGHJFGNVIX-YADHBBJMSA-N	403.544	4.528	10	40	HJCB	
CCc1ccc(Oc2c(C(F)(F)F)oc3c(CN(C)C)c(O)ccc3c2=O)cc1	19793032	OXWQYPLDXIEBPZ-UHFFFAOYSA-N	407.388	4.934	10	40	HJCB	
O=C1/C(=C\c2ccc(OCc3ccccc3)cc2)C(O)=NC(=S)N1c1ccccc1	33319775	VGJFEDZBOZBKJF-QNGOZBTKSA-N	414.486	4.937	10	40	HJCB	
O=C(NN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S)c1ccccc1	40939796	BJJJEKNGDTXOKA-NTEUORMPSA-N	409.319	4.540	10	40	HJCB	
Cc1ccc2ccc([C@H](Nc3ccccc3C(=O)O)c3ccc(O)cc3)c(O)c2n1	408731558	NQLKBTSSTKINDM-OAQYLSRUSA-N	400.434	4.854	10	40	HJCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(OC(C)C)cc1	409050185	SGUCNRZMIZOKMQ-MDWZMJQESA-N	410.342	4.975	10	40	HJCB	
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21	6952786	YLSNSJRRUMZAMK-PZROIBLQSA-N	401.806	4.992	10	40	HJCB	
Cc1nc(COc2ccccc2C(=O)Nc2cccc(-n3c(C)ccc3C)c2)no1	32816646	XTVXMHYDHRWRNG-UHFFFAOYSA-N	402.454	4.617	10	40	HJCB	
Cc1csc(/C(=C/c2ccc(N3CCOCC3)cc2)c2nc3ccccc3n2C)n1	96891589	HEWPAUFNGIJQSF-HMMYKYKNSA-N	416.550	4.764	10	40	HJCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1ccc(F)cc1F	103646285	OYBBVBLATZFPNO-ZROIWOOFSA-N	406.230	4.754	10	40	HJCB	
COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c1	225695646	FGGDTIICNZLDAG-AWEZNQCLSA-N	417.962	4.774	10	40	HJCB	
CN(C)c1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc1Br	408633935	NTTVKOKNLKVCGV-YBEGLDIGSA-N	418.316	4.609	10	40	HJCB	
O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	1874418	FOFPALJHEPGTIR-BOPFTXTBSA-N	417.874	4.964	10	40	HJCB	
O=C1c2ccccc2-c2onc3c(N4CCCCC4)cc(NCCN4CCCC4)c1c23	6737848	MMSYVEFXRAMWBA-UHFFFAOYSA-N	416.525	4.537	10	40	HJCB	
COc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1OCc1ccccc1	18150457	FCPSHTMJLUJPJB-UHFFFAOYSA-N	404.510	4.612	10	40	HJCB	
Oc1c([C@H](c2cccs2)N2CCN(c3ccccc3)CC2)ccc2cccnc12	19791697	RPHVVIUFERTCNZ-HSZRJFAPSA-N	401.535	4.914	10	40	HJCB	aggregator
Oc1ccccc1[C@H]1CC(c2ccccc2)=NC2(CCN(Cc3ccccc3)CC2)N1	80324983	IWKRSAZVEIOCSU-RUZDIDTESA-N	411.549	4.908	10	40	HJCB	
O=C1/C(=C/c2ccc(O)c(Br)c2)SC(=S)N1c1cccc(F)c1	409340244	STYXLEPAQGVGIL-AUWJEWJLSA-N	410.289	4.700	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OCC)c(OC)c3)SC2=S)cc1	1293882	NRUKKABNNZRBCX-UYRXBGFRSA-N	415.536	4.898	10	40	HJCB	
CN(C)c1ccc([C@@H](CNC(=O)c2c(F)cccc2F)N2CCc3ccccc32)cc1	5098650	GCVCMVVEHYZNER-HSZRJFAPSA-N	421.491	4.565	10	40	HJCB	
COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1cccc2ccccc12	5199852	LNKKIAKTYZDQFW-NDENLUEZSA-N	407.516	4.916	10	40	HJCB	
O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1	33927459	BYPQOYBYXSDEEV-YBEGLDIGSA-N	409.294	4.556	10	40	HJCB	
COc1ccccc1C1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccc(F)cc1	408841495	HHZFCTYIKFSXKL-CJLVFECKSA-N	415.468	4.735	10	40	HJCB	
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Cl)s1	408854504	GWXDMUDDPQQTOM-SOFGYWHQSA-N	417.726	4.540	10	40	HJCB	
COc1ccc(Br)cc1[C@H]1Nc2ccc(C(=O)O)cc2[C@H]2C=CC[C@H]21	4959438	NZGRRGAZVGOZOV-KSMMKXTCSA-N	400.272	4.982	10	40	HJCB	
Cc1cc(C(=O)COC(=O)c2cccc(Br)c2)c(C)n1-c1ccccc1	6903253	AADNRCVDMDOUKL-UHFFFAOYSA-N	412.283	4.896	10	40	HJCB	
COc1cc(Cl)c(C[C@@H]2SC(=S)N(CCC3CCCC3)C2=O)cc1OC	8106939	RLHJTMQEMLHNRY-KRWDZBQOSA-N	413.992	4.709	10	40	HJCB	
CCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)SC1=S	12756862	NLDIEUVELQLDPZ-CXUHLZMHSA-N	417.581	4.666	10	40	HJCB	
O=C1/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)SC(=S)N1c1ccccc1	16488365	ZXMSUGISKIXJHO-NTEUORMPSA-N	421.297	4.763	10	40	HJCB	
COc1ccc(CN[C@H](Cc2ccsc2)c2nccs2)cc1Cn1cccn1	19559463	MBZHKNJZHADQIN-LJQANCHMSA-N	410.568	4.532	10	40	HJCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c(Cl)c1	409162369	UWTAHIBNQUMXDS-OQLLNIDSSA-N	423.346	4.848	10	40	HJCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc(Cl)c1O	409335413	ZTBQBKAWWJABSA-YBEGLDIGSA-N	421.927	4.859	10	40	HJCB	
COc1cc2c(cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)oc1ccccc12	11619282	IPMSIVUTQZPARZ-UHFFFAOYSA-N	421.409	4.562	10	40	HJCB	
O=C1N=C(N2C=CC(=C3C=CNC=C3)C=C2)/C(=C/N=NC(=O)c2ccccc2)S1	263591718	GRYAHISAUSLYBZ-QKVVDXATSA-N	401.451	4.656	10	40	HJCB	
CN(C)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(O)cc3)C2=O)cc1	408756849	XTEKRNRKNGOONA-PXLXIMEGSA-N	417.896	4.946	10	40	HJCB	
CCc1ccc(/C=C2\C(=O)N(c3ccc(OC)c(Cl)c3)C(C)=C2C(=O)OC)cc1	409055306	DTVNURHFORXRTJ-PDGQHHTCSA-N	411.885	4.788	10	40	HJCB	
O=C1/C(=C/c2ccccc2OCc2ccccc2)SC(=S)N1C[C@H]1CCCO1	409082795	SWKAFHNFFPEBMY-RXWSAZGZSA-N	411.548	4.646	10	40	HJCB	
CSc1ccccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	13145386	AHHLBOKVTFDVNT-UHFFFAOYSA-N	423.490	4.584	10	40	HJCB	
Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3ccc(OC(C)C)cc3)S2)CC1	13534091	LSXXARNFMZSCBK-CJLVFECKSA-N	421.566	4.575	10	40	HJCB	
CCN(CC)c1ccc(/C=C2/SC(=S)N(CN3CCCCCC3)C2=O)cc1	55121109	HOLZDJWHOBIMBN-XDJHFCHBSA-N	403.617	4.568	10	40	HJCB	
O=C1N/C(=C/c2ccc(N3CCCC3)c3ccccc23)C(=O)N1Cc1ccccc1F	409104217	GPGJGSAILGFRLI-PXLXIMEGSA-N	415.468	4.672	10	40	HJCB	
O=C(CSCc1ccc(Br)cc1)NCc1ccc(N2CCCC2)cc1	10113509	PQUOMJGFAHGIHE-UHFFFAOYSA-N	419.388	4.599	10	40	HJCB	
O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1C(=O)c1ccc(F)cc1	408719010	FNJAXFZVVDVJEH-NTEUORMPSA-N	422.300	4.630	10	40	HJCB	
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC(=S)N1c1ccc(O)cc1	1811845	SKPKAGXQCUOFRC-WQRHYEAKSA-N	424.459	4.966	10	40	HJCB	
CC[C@H]1CCCCN1C(=O)CN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S	5370994	MNSOCRABMLTMEK-ITXOMFJXSA-N	414.596	4.625	10	40	HJCB	
COc1ccc(N2COc3ccc4c(c3C2)OC2(CCCCC2)CC4=O)cc1OC	20739522	HFWODSXMPZKMHJ-UHFFFAOYSA-N	409.482	4.728	10	40	HJCB	
Cc1cccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccnc4)o3)c2C)c1	44029792	HTWOPUDFVXRXNF-UHFFFAOYSA-N	404.495	4.823	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccccc3)C2=O)c(OC)c1	408760522	ADHJTXXLLNBRAP-KGENOOAVSA-N	402.425	4.677	10	40	HJCB	
CC(C)c1ccc(N2C(=O)N=C(O)/C(=C/c3cnc(-c4ccccc4)nc3)C2=O)cc1	6263193	AGXWWAUSOBQQID-NDENLUEZSA-N	412.449	4.774	10	40	HJCB	
CSc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1	13547641	PIYGJOWXDIZVLT-MFOYZWKCSA-N	401.534	4.539	10	40	HJCB	
O=C1/C(=C\c2ccc(N3CCCCCC3)cc2)C(O)=NC(=S)N1C1CCCCC1	17208902	ZFPIKNJXEVJMBQ-SILNSSARSA-N	411.571	4.867	10	40	HJCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1O	222830973	WZVBTTXSDJRTDR-VXKWHMMOSA-N	406.555	4.576	10	40	HJCB	
CCCN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C1=O	409251333	PCKHFYIYGNHZSK-DEDYPNTBSA-N	407.901	4.954	10	40	HJCB	
COc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)ccc1OCc1ccccc1	639491	COPKWAULNXOFIN-QNGOZBTKSA-N	408.523	4.730	10	40	HJCB	
O=C(O)CN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S	1054996	MUONFKWHAMHQSG-SDQBBNPISA-N	414.291	4.539	10	40	HJCB	
O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1	4853084	MSVZBBATVMKDKE-XMHGGMMESA-N	412.401	4.764	10	40	HJCB	
O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1C(=O)c1ccccc1F	16449235	RTNXCSPJROGFEO-NTEUORMPSA-N	422.300	4.630	10	40	HJCB	
O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2	33597143	DRESEQRWNVMBNX-LLLGHMJXSA-N	424.591	4.692	10	40	HJCB	
Cc1ccc(CN2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)cc1	409051493	ANTFHLKWGGDUOH-SXGWCWSVSA-N	420.353	4.865	10	40	HJCB	
CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)SC1=S	1204280	UTHWJDPSSOEUBX-YBEGLDIGSA-N	420.353	4.859	10	40	HJCB	
O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2	4959447	ZTCFLIAQZSENEG-SYTFOFBDSA-N	414.255	4.703	10	40	HJCB	
COc1ccc(C(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1OC	6609110	DOULTRKLYURUPS-OCEACIFDSA-N	419.437	4.915	10	40	HJCB	
COc1ccc(CCN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1OC	9971285	JGWQNLSMWFRKGQ-LDADJPATSA-N	419.955	4.801	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1	408892693	JAOQTNUPGKMJMR-ZHZULCJRSA-N	410.901	4.673	10	40	HJCB	
COc1ccc(-c2coc3c(CN(C)Cc4ccccc4)c(O)ccc3c2=O)cc1	20390250	JFOASFUQSMACJP-UHFFFAOYSA-N	401.462	4.806	10	40	HJCB	biogenic
O=C(CSc1ncc(-c2ccccc2)n1Cc1ccccc1)Nc1nccs1	44086268	LLRADVFFERRXEI-UHFFFAOYSA-N	406.536	4.786	10	40	HJCB	
O=C1N=C(O)/C(=C\c2cc(Cl)cc(Cl)c2O)C(=O)N1c1ccc(Cl)cc1	83327265	BTYULHUFASGMHO-WUXMJOGZSA-N	411.628	4.859	10	40	HJCB	
C[C@H](NC(=O)c1ccc(Cn2ccnc2)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1	223534003	UUEOXWCPHNIRAG-UXHICEINSA-N	402.542	4.659	10	40	HJCB	
CCCCCCOc1ccc(Br)cc1/C=C1/SC(=S)NC1=O	408539315	GTFGTEACHUALOY-GXDHUFHOSA-N	400.363	4.897	10	40	HJCB	
CCc1ccc(N2C[C@H](C(=O)Nc3ccc(-n4c(C)ccc4C)cc3)CC2=O)cc1	408709195	YLJALSYEOKUEPP-HXUWFJFHSA-N	401.510	4.648	10	40	HJCB	
CCOc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCC(C)C	409081895	IGWNARIWXOWBPB-VXIUPONVSA-N	421.584	4.500	10	40	HJCB	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccc(C)cc3)C2=O)cc1	1180547	AUGWQCYUDABISV-XMHGGMMESA-N	410.564	4.924	10	40	HJCB	
O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1cccc([N+](=O)[O-])c1	9310721	XIZLVRCUKBVCTK-VGOFMYFVSA-N	421.843	4.562	10	40	HJCB	
C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1ccc(N2CCOCC2)cc1	9740390	ZHQDTQOHYCVJHY-UQBPGWFLSA-N	413.521	4.851	10	40	HJCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(SC)SC4=NC3=O)c2C)cc1	33917043	JLZMPIWFWCMBIU-JMCWYTMQSA-N	423.567	4.596	10	40	HJCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C	222972916	NMZICGJSIYTZSE-FCHUYYIVSA-N	419.598	4.965	10	40	HJCB	
CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1OCC	408970279	FDESNJPKAWBJFL-VBKFSLOCSA-N	404.388	4.833	10	40	HJCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N=C2S1	2452965	LRMKWPNDPCZCCZ-JMCWYTMQSA-N	423.567	4.732	10	40	HJCB	
CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S	5374194	MPKRQKMZUJJWBH-UZYWNZJBSA-N	404.340	4.694	10	40	HJCB	
O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2cc(Br)ccc2O)CS1	96338461	OTSMBXSSUIILAD-OAHLLOKOSA-N	416.300	4.571	10	40	HJCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C	222966305	UAPMDUOAHPRUHK-GOTSBHOMSA-N	420.582	4.967	10	40	HJCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl	408974600	FIMCPAWQSOUFLK-PDGQHHTCSA-N	416.304	4.909	10	40	HJCB	
CCCN1C(=O)/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)SC1=S	409342016	DJWRUHMIOUQKLM-OQLLNIDSSA-N	407.900	4.909	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)cc1Cl	409350819	YTKBUPDYSWSXMD-OVCLIPMQSA-N	406.872	4.663	10	40	HJCB	
CCCCCSc1nnc2c(n1)O[C@H](c1ccc(O)c(O)c1)Nc1ccccc1-2	2741709	RRVDATUJLSBQRY-LJQANCHMSA-N	410.499	4.735	10	40	HJCB	
COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3C(C)=CSC3=NC2=O)c1C	103604827	QBRDYGHAZHHIOY-HJTUMBPSSA-N	406.511	4.578	10	40	HJCB	
Cc1cc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)ccc1N1CCCC1=O	225696590	QFAGCYLWIPIHPI-GOSISDBHSA-N	422.598	4.770	10	40	HJCB	
COc1ccc(CN2C(=O)N=C(O)/C(=C/c3ccc4c(c3)Cc3ccccc3-4)C2=O)cc1	9046243	YJBOATINFKTMJI-QRVIBDJDSA-N	424.456	4.769	10	40	HJCB	
Cc1[nH]c2ccccc2c1/C=C1/C(=N)N2C(c3ccc(F)cc3)=CSC2=NC1=O	41083599	SCDSYDRFPLFXOG-UTQUROFUSA-N	402.454	4.920	10	40	HJCB	
C[C@H]1CCCN(c2ccc(CNC(=O)COc3cccc(C(F)(F)F)c3)cc2)C1	225814133	AGPVFFLCORYQLB-INIZCTEOSA-N	406.448	4.637	10	40	HJCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccc(F)cc2)N1c1ccc(F)cc1	408765162	WWYCSJQSVJORQW-DEDYPNTBSA-N	405.360	4.708	10	40	HJCB	
Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	6865666	WSYDKIRREMPILE-UHFFFAOYSA-N	416.399	4.908	10	40	HJCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc4c(c3)Cc3ccccc3-4)C2=O)cc1	9300470	KSHSOTIGNQVPKN-XKZIYDEJSA-N	410.429	4.773	10	40	HJCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1	408945194	WDGNAUCWPYNSFI-PXLXIMEGSA-N	414.436	4.847	10	40	HJCB	
CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)S1	409023428	WVOUYRIYUPIMAM-MFOYZWKCSA-N	421.305	4.679	10	40	HJCB	
Cc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	5489693	DBCKHICDZLOYTA-ROQGJMCKSA-N	400.866	4.664	10	40	HJCB	
Oc1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1O[C@@H]2c1ccco1	10215264	WPPRXYCTQGAEQO-OXQOHEQNSA-N	411.255	4.990	10	40	HJCB	
Cc1cc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc(C)c1Cl	13940788	ARGWSAVKVSMDKJ-UHFFFAOYSA-N	419.864	4.750	10	40	HJCB	
CC(=O)c1ccc(N2CCN(Cc3c(O)ccc4oc5c(c34)CCCC5)CC2)cc1	32932623	ZGQKHNRYDFKAPM-UHFFFAOYSA-N	404.510	4.542	10	40	HJCB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(Cl)cc3)C2=O)cc1	1179907	ZKACUBHETGLYHZ-SFQUDFHCSA-N	416.955	4.878	10	40	HJCB	
CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)C(=O)N=C2S1	2199289	JJKLUGCDVDADGH-OXMFYWCOSA-N	423.567	4.651	10	40	HJCB	
COc1cccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)c1	5745885	FQTPXZXJZXXHAM-KGENOOAVSA-N	404.853	4.889	10	40	HJCB	
Cc1ccc([C@@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)c(F)c2)nc1	19215472	ZFIOPBAAZDTETN-JOCHJYFZSA-N	411.546	4.501	10	40	HJCB	
CN(C)CCCN(CCCN(C)C)Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	23281760	OZONTOQRNWPNED-UHFFFAOYSA-N	405.671	4.693	10	40	HJCB	
Cc1ccnc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1	12632225	BOFLAODZSWOJPT-XDHOZWIPSA-N	406.873	4.548	10	40	HJCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2ccc(F)cc2)cc1	17082172	WZPJHGOPTCIGPD-JWGURIENSA-N	401.441	4.971	10	40	HJCB	
COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)o2)c(C)c1	17167162	PTUXPQBLCYWSBY-STZFKDTASA-N	400.434	4.848	10	40	HJCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)cc3)C(=O)NC2=S)cc1	409369552	CUEAFWPIVPWNAD-CJLVFECKSA-N	412.514	4.747	10	40	HJCB	
CN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1	3140903	PIVUSFSMYSXMAZ-WJDWOHSUSA-N	419.369	4.921	10	40	HJCB	
Cc1ccc(OCCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)cc1C	33390925	OCOBGCHYHFXXNA-ZHZULCJRSA-N	413.564	4.982	10	40	HJCB	
CCOc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c2ccccc12	59135064	WTOWVLCVYUAUPK-CPNJWEJPSA-N	404.397	4.884	10	40	HJCB	
CCOC(=O)c1cc(NC(=S)NCCN(CC)c2ccc(C)cc2)ccc1Cl	225794020	GLHUPNVYCPHGGY-UHFFFAOYSA-N	419.978	4.638	10	40	HJCB	
Cc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C	5516363	GUMDAISEAJLMHH-AMWUQPRHSA-N	405.527	4.678	10	40	HJCB	
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(/N=N\c3ccccc3)cc2)cc1	100499941	DUFSQZYDVNWABF-VHXPQNKSSA-N	408.483	4.605	10	40	HJCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)cc1	222854324	KFXOKTMWMPTCRW-VXKWHMMOSA-N	406.555	4.570	10	40	HJCB	
C[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(N2CCCCC2)cc1	225665516	JICDWXNBHOZTHM-GOSISDBHSA-N	422.598	4.851	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2cccc(C)c2)cc1	408754283	PSFXSJRNCQYHSO-FYJGNVAPSA-N	412.445	4.567	10	40	HJCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2F)c1	408756827	XSFUFMADZCXGBZ-UDWIEESQSA-N	400.409	4.697	10	40	HJCB	
CCN(CC)CCC[C@H](C)N[C@@H]1CCCc2cc3c(cc21)C(=O)c1ccccc1C3=O	5663711	RUZWRDWWSUENLH-AVRWGWEMSA-N	418.581	4.940	10	40	HJCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1	222899550	ZQGGSRYQCZATOW-FCHUYYIVSA-N	406.555	4.572	10	40	HJCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1	408765497	XVYLLRROZHMKCO-RCCKNPSSSA-N	416.864	4.961	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1sccc1C	409000528	YOIUFVIEENOSNH-GDNBJRDFSA-N	418.312	4.696	10	40	HJCB	
CC(C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O	409345607	IHDWIQYNDPKZSY-GZTJUZNOSA-N	400.481	4.788	10	40	HJCB	
COc1ccccc1[C@@H](CCN(Cc1ccc(N(C)C)cc1)C(C)=O)c1ccco1	2265246	IDMDCQJCMQHUCH-HSZRJFAPSA-N	406.526	4.925	10	40	HJCB	
CCCCN1C(=O)/C(=C/C=C/C=C/N(C(C)=O)c2ccc(OC)cc2)SC1=S	2520686	ISXBSMBQXDNJOC-VCTJGUEGSA-N	416.568	4.662	10	40	HJCB	
COc1cc(/C=C2\SC(N3CCC[C@@H](C)C3)=NC2=O)ccc1OCc1ccccc1	13547388	BJFNADQCEKPWOM-VVRYKASASA-N	422.550	4.976	10	40	HJCB	
c1ccc2c3c(cc(N4CCOCC4)c2c1)O[C@@]1(N2CCCCC2)CCCC[C@H]1O3	20528601	NYEAMANZCHMFME-NOZRDPDXSA-N	408.542	4.572	10	40	HJCB	
Cc1cc(-n2c(C)cc(C(=O)CSc3ncc(-c4ccccc4)n3C)c2C)no1	22268236	AEMXRKYHEGSTGH-UHFFFAOYSA-N	406.511	4.766	10	40	HJCB	
Cc1cc2occ(CC(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2cc1C(C)C	32772598	PCZLIOQRZYYMAK-UHFFFAOYSA-N	420.553	4.902	10	40	HJCB	
CCN1c2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc2C(C)=CC1(C)C	208509855	HASIUCWHSYCKEI-BKUYFWCQSA-N	419.500	4.940	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2F)cc1	408758761	QRLMKVARFCBYOZ-KGENOOAVSA-N	401.397	4.877	10	40	HJCB	
COc1ccccc1C1=N/C(=C/c2ccc(C(=O)O)cc2)C(=O)N1c1cccc(C)c1	408841872	IHYWPVZIKYKURG-RCCKNPSSSA-N	412.445	4.536	10	40	HJCB	
Cc1ccc(CN2C(=O)/C(=C/c3cc4c(cc3Cl)OCO4)SC2=S)cc1	409054662	VCDZAICWRJUSSR-IDUWFGFVSA-N	403.912	4.779	10	40	HJCB	
Cc1cc(/C=C/c2ccc3c(c2)C(=O)c2ccccc2C3=O)c([N+](=O)[O-])cc1[N+](=O)[O-]	3845331	LBVWQCMBLVLGJT-SOFGYWHQSA-N	414.373	4.757	10	40	HJCB	
COC(=O)/C=C/c1ccc(N2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1	58407586	YEANZJMKCVDAGQ-VQHVLOKHSA-N	423.494	4.775	10	40	HJCB	
CCOc1cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)ccc1OCC(C)C	409124401	HGSXRRUZGISXGX-MOSHPQCFSA-N	424.522	4.520	10	40	HJCB	
COc1ccc(CCN2C(=O)/C(=C\c3ccc4ccccc4n3)SC2=S)cc1	8990512	RQBMJFNNSIYQPP-XSFVSMFZSA-N	406.532	4.687	10	40	HJCB	
COc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)n1Cc1ccccc1)[C@H](C)N2C	19720073	RQDLBJJNXSFPPA-RMDTYCCRSA-N	423.516	4.832	10	40	HJCB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1C	107632878	NTRHLLNGORXDHV-NDENLUEZSA-N	405.885	4.517	10	40	HJCB	
Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)cc1N1CCCC1=O	225696625	JUHJVQDEYIWXMX-SFHVURJKSA-N	422.598	4.770	10	40	HJCB	
COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c(C)c1	260764758	MCUMTZRAGQQQFJ-LPHOPBHVSA-N	416.587	4.588	10	40	HJCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2)cc1	408901642	ZJOMGUWQHCVGPG-XSFVSMFZSA-N	402.837	4.673	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)ccc3OC)SC2=S)cc1	1190598	ZTIJRMMOLJZIAQ-PDGQHHTCSA-N	401.509	4.508	10	40	HJCB	
Cc1ccsc1/C=C1\SC(N2CCN(c3cccc(Cl)c3)CC2)=NC1=O	9189254	RGKBGEYYCVYSQW-ATVHPVEESA-N	403.960	4.502	10	40	HJCB	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccccc1[N+](=O)[O-]	100510962	XRDBZTDYKLTNQC-KGNHYALCSA-N	420.454	4.902	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccccc1C(F)(F)F	408984111	HYPYRRVKLDWHMM-BOPFTXTBSA-N	417.383	4.591	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1OC	1239278	DWUFPNVXQVDGPX-YBEGLDIGSA-N	421.927	4.772	10	40	HJCB	
CC(C)C1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)N=C2S1	1251305	WZFNDFXHVUFCCR-BIWIXZEJSA-N	404.495	4.541	10	40	HJCB	
COc1ccc(-c2cc3ccc(O)c(CN4CCCC[C@H]4C)c3oc2=O)cc1OC	4353841	DSLSBQSPPJSXKS-OAHLLOKOSA-N	409.482	4.557	10	40	HJCB	biogenic
O=C1OC(c2ccccc2)=N/C1=C/c1cccn1CCCOc1ccc(Cl)cc1	4550289	DGNRZXQHMVSDSK-LTGZKZEYSA-N	406.869	4.955	10	40	HJCB	
CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)SC2=S)cc1	6563189	OXFHMWHUNKBSHB-JYRVWZFOSA-N	408.298	4.651	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccccc3)C2=O)c(OC)c1	408755558	OKOWXAJJDHSQHP-KGENOOAVSA-N	402.425	4.677	10	40	HJCB	
Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1cccc(F)c1	5489098	CQMATTHTAURXFU-HGSFKZCZSA-N	409.490	4.508	10	40	HJCB	
CCN(CC)c1ccc(/C=C2\SC(=S)N(CNc3ccc(F)cc3)C2=O)cc1	4357572	SRYLZKZPSDFSGH-UYRXBGFRSA-N	415.559	4.943	10	40	HJCB	
Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1	5174952	ZVAJSWKHXHGQCP-UHFFFAOYSA-N	407.417	4.717	10	40	HJCB	
O=C(Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1)c1cccc(F)c1	36356917	RNGPRLYWRZZOOC-UHFFFAOYSA-N	400.457	4.838	10	40	HJCB	
CCN(CC)c1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(C)=O)cc1	58268801	SXWXALNNCNDPGV-OAQYLSRUSA-N	414.347	4.993	10	40	HJCB	
CC(=O)Nc1ccc(N2C(=O)/C(=C\C3=Cc4ccccc4O[C@H]3C)SC2=S)cc1	13689974	IGOWHUJHGIVAAB-DZUMZMOTSA-N	422.531	4.758	10	40	HJCB	
COc1cccc(Oc2coc3c(CN(C)Cc4ccccc4)c(O)ccc3c2=O)c1	20503649	NXINKOCPXNKNDJ-UHFFFAOYSA-N	417.461	4.932	10	40	HJCB	
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)cc1	245231495	DUFSQZYDVNWABF-UHFFFAOYSA-N	408.483	4.605	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1sccc1C	408985965	LGIKWGRBEGHXJU-GDNBJRDFSA-N	418.312	4.696	10	40	HJCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1cccc(OC(C)C)c1	409042202	WSAYKMAAVPKIOA-JYRVWZFOSA-N	410.342	4.975	10	40	HJCB	
Cc1cc(C(=O)COC(=O)c2cccc(F)c2)c(C)n1-c1ccc(OC(F)F)cc1	3283222	FVBDGYJSSPCNIO-UHFFFAOYSA-N	417.383	4.874	10	40	HJCB	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(=O)c4ccccc4o3)c2C)cc1	6814401	WASAQQQXRJHPKU-UHFFFAOYSA-N	415.445	4.549	10	40	HJCB	
Cc1ccc(-n2c(C)cc(C(=O)O[C@H](C)c3nc4ccccc4c(=O)[nH]3)c2C)cc1	8931573	ZMVYZSDFZWAIHG-QGZVFWFLSA-N	401.466	4.557	10	40	HJCB	
CCc1ccccc1NC(=O)CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S	16873029	OKEQDYNLMCTTEN-SFRRXYARSA-N	408.548	4.645	10	40	HJCB	
COc1ccc(C2(C(=O)N[C@@H](C)c3ccc(N4CCCCC4)cc3)CCOCC2)cc1	19661477	JHTMCDLIWRPUSL-FQEVSTJZSA-N	422.569	4.611	10	40	HJCB	
CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3cc(C)ccc3O)C[C@@H]21	227486752	ZTEZAVZXLIUUGT-RDPSFJRHSA-N	401.466	4.737	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(Br)cc1	408768425	IWQFKIPMDOJYCB-PDGQHHTCSA-N	412.283	4.635	10	40	HJCB	
COCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O	409250729	XZDPXJKTPXVNLP-PDGQHHTCSA-N	404.919	4.820	10	40	HJCB	
O=C1Nc2ccccc2/C1=C1\SC(=S)N(c2ccc(Cl)cc2Cl)C1=O	409349762	QUSGKLSPGMXJRK-BUHFOSPRSA-N	407.303	4.722	10	40	HJCB	
Cc1ccc(Nc2cc(N3CCN(C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1	2301033	NYIXYEAJZSVRLN-UHFFFAOYSA-N	424.504	4.843	10	40	HJCB	
Cc1cc(C(=O)Cn2cnc3c(oc4ccccc43)c2=O)c(C)n1-c1ccc(F)cc1	5635743	GPAQSJMMOMYTQS-UHFFFAOYSA-N	415.424	4.572	10	40	HJCB	
COc1cc(N2CCCCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21	260752901	AIKKHGIMPAMBMI-NPFVIJTESA-N	408.571	4.670	10	40	HJCB	
CCOc1ccc(C2=C/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)O2)cc1	408753646	BJQWJQLZOZHBTL-GHRIWEEISA-N	402.406	4.766	10	40	HJCB	
CC(=C\c1ccccc1)/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O	408856300	QDMLYWVFVWBBGU-NCPBJGSTSA-N	417.317	4.771	10	40	HJCB	
CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1OC	409199637	PSAARUWRRHTUSY-VUFYJBQKSA-N	416.568	4.828	10	40	HJCB	
Cc1c(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc2n1C	409332621	QQLPECLTOXUTCY-WOJGMQOQSA-N	409.492	4.801	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)C(=O)N=C2S1	33732142	YVOUBYNPSLONOP-PBOWYIGHSA-N	421.526	4.522	10	40	HJCB	
Fc1ccc(NC(=S)NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1	642504	CVMMWULDZISRBZ-UHFFFAOYSA-N	416.485	4.658	10	40	HJCB	
COc1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1OC	2119628	QUUJXBCXQWMYBE-UHFFFAOYSA-N	415.445	4.834	10	40	HJCB	biogenic
CC1CCN(Cc2c(O)ccc3c(-c4cc5ccccc5oc4=O)cc(=O)oc23)CC1	4084043	QWWWGBXHGILUTC-UHFFFAOYSA-N	417.461	4.504	10	40	HJCB	biogenic
CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)c(O)c1	59514414	OIFMTEGCDAQNLK-XDHOZWIPSA-N	414.552	4.653	10	40	HJCB	
C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(N4CCCC4=O)cc3)cc2)C1	225691669	SOAFSGVCJJYQSP-GOSISDBHSA-N	422.598	4.536	10	40	HJCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@H]3[C@H](c4ccccn4)NC(=S)N3C)cc21	260759169	FGFZRNQCVRHFNF-PMACEKPBSA-N	412.990	4.969	10	40	HJCB	
COc1ccc(N2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1	19657278	IELOPBSCEQHMRT-VGOFRKELSA-N	407.539	4.539	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OC)cc1	59435731	JCUUHCOUUVODGX-YBEGLDIGSA-N	418.276	4.879	10	40	HJCB	
Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(N4CCCC4)cc3)C2=O)cc1	106781149	WSWGKUZIWIWVAU-PGMHBOJBSA-N	408.523	4.711	10	40	HJCB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1c(F)cccc1Cl	666019	GLHBETCYNLIMDV-GHRIWEEISA-N	422.843	4.520	10	40	HJCB	
Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)NC2=O)cc1C	9553472	CDPCVNQIYWUUOT-WQRHYEAKSA-N	419.955	4.903	10	40	HJCB	
Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccc(F)cc3)C1=O)[C@@H](C)CC(C)(C)N2C	208223889	CNEDSQMXHGEUMT-IXGURIBZSA-N	421.516	4.949	10	40	HJCB	
CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCC3)c3ccccc23)c2ccccc21	409198808	LGBNEKNDUWDOPK-CJLVFECKSA-N	413.521	4.561	10	40	HJCB	
COc1ccc(CCC2N(c3ccc(OC)cc3)CCN2c2ccc(OC)cc2)cc1	1717329	DFDLRAJHBGLBAV-UHFFFAOYSA-N	418.537	4.998	10	40	HJCB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NC(C)(C)C)C2=O)cc1	4745357	UXDRERVVYDYVNB-VKAVYKQESA-N	404.601	4.671	10	40	HJCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)C(O)=NC2=S)c1C	59104510	DVUJZWKSELBNNJ-RGEXLXHISA-N	405.523	4.575	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(C(=O)O)c1	104852167	GJBAOBVYYWQMNY-KGENOOAVSA-N	412.445	4.770	10	40	HJCB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCc1ccc(C)cc1	408879035	DXVKVJPNKHWRQL-SXGWCWSVSA-N	405.928	4.725	10	40	HJCB	
Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(O)cc1	408939625	TUSUHIOTSUAEFW-MTJSOVHGSA-N	421.884	4.546	10	40	HJCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N([C@H](Cc2ccccc2)C(=O)O)C1=O	1210264	LDZQUNCQSFRUPO-SCPQHCQOSA-N	409.532	4.530	10	40	HJCB	
Cc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1	9211009	FRSDTSUILLFKLM-BWEDJOFLSA-N	416.428	4.890	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cc(OC)ccc1OC	685990	HVHQYEGIPLSGCU-STZFKDTASA-N	421.493	4.704	10	40	HJCB	
COC(=O)c1ccc(C)c(-n2c(C)cc([C@@H]3NN=C(c4ccccc4)S3)c2C)c1	6966971	NPBFOVRIYNGEIX-JOCHJYFZSA-N	405.523	4.886	10	40	HJCB	
COc1ccc(/C=C2/SC(Nc3ccccc3C(F)(F)F)=NC2=O)cc1OC	7276016	XRWYBLCRUDARRR-MHWRWJLKSA-N	408.401	4.805	10	40	HJCB	
O=C(O)c1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1	9233981	JKPDJPWIEDDMBN-RIYZIHGNSA-N	420.309	4.553	10	40	HJCB	
O=C1/C(=C/c2cnc3ccccc3n2)SC(=S)N1c1ccc(F)c(Cl)c1	54361197	UARVWUJQLKGYSG-APSNUPSMSA-N	401.875	4.828	10	40	HJCB	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(Cl)c(Cl)c1	112286156	RFHUEBFCSZZHRT-UNOMPAQXSA-N	418.280	4.645	10	40	HJCB	
COc1ccc(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)c([N+](=O)[O-])c1	11619272	WQVMJMWRCLZCQE-UHFFFAOYSA-N	421.409	4.562	10	40	HJCB	
O=C1N=C(S)S/C1=C/c1cccc(OCc2ccc(Br)cc2)c1	13322543	TUIARLAKNVBMSU-OQLLNIDSSA-N	406.326	4.928	10	40	HJCB	
Cc1ccc(C)c(OCCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c1	33390943	FHEUTDMQHRDUAJ-ZHZULCJRSA-N	413.564	4.982	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@@H]1c1ccc(N(C)C)cc1	33778005	RZJKCKVNGHRLQR-OAQYLSRUSA-N	409.555	4.870	10	40	HJCB	
Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C(F)(F)F)n3C)c2C)cc1C	9632669	DRVKZJQJFQEJBI-UHFFFAOYSA-N	422.476	4.833	10	40	HJCB	
CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4C)c3C)C(=O)N=C2S1	95471965	MUCDTBNAZCHZHZ-WXUZMHMZSA-N	411.918	4.695	10	40	HJCB	
Cc1nccn1Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1	225297972	LHAXKPBVEKCKCT-UXHICEINSA-N	416.569	4.967	10	40	HJCB	
CN1CCN(c2cc(Nc3ccccc3)c3c4c(onc24)-c2ccccc2C3=O)CC1	2301417	BGKLBSULSCRBHH-UHFFFAOYSA-N	410.477	4.535	10	40	HJCB	
O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1)Nc1nccs1	4102741	XPIAGKSUGHIYPH-UHFFFAOYSA-N	414.487	4.518	10	40	HJCB	
Cc1ccccc1CSCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	4797081	DXNZUIYBLJBJBG-UHFFFAOYSA-N	401.487	4.642	10	40	HJCB	
CCn1c2ccccc2c2cc(/C=C3/SC(=S)N(CCCN(C)C)C3=O)ccc21	96921031	BZUMYRYXUNKJMI-RCCKNPSSSA-N	423.607	4.967	10	40	HJCB	
Cc1ccc(N2CCN(C(=S)c3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)cc1	4311618	IXIIGQVLSPEYNA-UHFFFAOYSA-N	407.495	4.661	10	40	HJCB	
Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(F)cc1	4548936	IGYRHCDSWPUHCP-QUYJEORZSA-N	409.490	4.508	10	40	HJCB	
CN(C)c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Br	59418071	PFRGDFJPCZZSKQ-LFIBNONCSA-N	419.369	4.921	10	40	HJCB	
COc1ccc(C2=C/C(=C\c3ccc(N(C)C)c(Br)c3)C(=O)O2)cc1	83260560	GCHGWUHTIFUYKF-XNTDXEJSSA-N	400.272	4.505	10	40	HJCB	
Cc1cc(C)c(N2C(=O)N=C(O)/C(=C/N[C@H]3C[C@@H]4CC[C@]3(C)C4(C)C)C2=O)c(C)c1	102558911	ZIJZQFADSMDGSP-BZFGLLDISA-N	409.530	4.723	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(C(=O)O)cc2C)c1C	408902821	RSAFBAKHJYKZTJ-HYARGMPZSA-N	413.477	4.907	10	40	HJCB	
Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C2=O)cc1	409238471	AHQJGVHHJMILSS-LPYMAVHISA-N	403.457	4.635	10	40	HJCB	
Cc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1	6199410	IQEWWCZIHCPHRA-SFQUDFHCSA-N	416.955	4.878	10	40	HJCB	
CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c1	225695928	SPMWWXMLZKYFHF-KRWDZBQOSA-N	411.571	4.820	10	40	HJCB	
CCCn1cc(/C=C2\C(=O)N=C(O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21	9088454	VPCKCZYMICXYEE-LDADJPATSA-N	407.857	4.576	10	40	HJCB	
Cc1ccc(C)n1-c1ccsc1-c1cc2nc(CN3CCCCC3)cc(O)n2n1	12955293	QEFVWNCOOVAQBC-UHFFFAOYSA-N	407.543	4.557	10	40	HJCB	
COc1cc(Br)cc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)c1O	15947569	KIMZEGRPPHVYOX-ZKANADHPSA-N	423.332	4.779	10	40	HJCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1O	222830857	WZVBTTXSDJRTDR-YADHBBJMSA-N	406.555	4.576	10	40	HJCB	
CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3cc(C)ccc3O)C[C@@H]21	227486760	ZTEZAVZXLIUUGT-GBXCKJPGSA-N	401.466	4.737	10	40	HJCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1	843329	MBJHPHBCKZUNPV-LDADJPATSA-N	406.825	4.575	10	40	HJCB	
CCc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccccc2F)SC1=S	4745289	NEJGZQNUKCFWRI-AQTBWJFISA-N	414.527	4.618	10	40	HJCB	
CCOc1cccc([C@H]2NC(=O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)c1O	17085958	WWBZNMJMFAHFPJ-BLVKFPJESA-N	400.544	4.858	10	40	HJCB	
CCOc1cc(N2CCCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21	222606802	XKHXWAPNRHRMQO-KNXBSLHKSA-N	408.571	4.670	10	40	HJCB	
CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1OC	5371456	IFXWGBBQABCELI-ODLFYWEKSA-N	413.520	4.702	10	40	HJCB	
COc1ccc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc1Br	6256047	POAPAYGYYFRTKF-YBEGLDIGSA-N	403.301	4.849	10	40	HJCB	
CCc1cccc(CC)c1NC(=O)c1c(C)oc2ccc(O)c(CN3CCOCC3)c12	19794008	ULPDRRBMLLBVBD-UHFFFAOYSA-N	422.525	4.656	10	40	HJCB	
Cc1ccc(-c2nc(/C=C3/SC(=S)N(C(C)C)C3=O)n(-c3ccccc3)n2)cc1	27562396	UNFYSLRFPZNOMI-QGOAFFKASA-N	420.563	4.852	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1c(Cl)cccc1Cl	59959186	BYKGCFCIHOIFDS-WJDWOHSUSA-N	418.276	4.879	10	40	HJCB	
Cc1c(NC(=O)NCCCSc2nccs2)cccc1OCC(F)(F)F	79059564	GOCPMEMQRSGUCF-UHFFFAOYSA-N	405.467	4.697	10	40	HJCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCc3ccc(F)cc3)C2=O)cc1	112286944	WPKQIQNXELPCGJ-QJOMJCCJSA-N	415.468	4.649	10	40	HJCB	
CCOc1cc(C)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1C(C)C	409084004	WZKSWNONSRNKJW-YLRSXTQRSA-N	405.585	4.897	10	40	HJCB	
COc1ccc(-c2c(C)c3ccc(O)c(CN4CCCC[C@@H]4C)c3oc2=O)cc1OC	4353844	NKCAKSDLHCAXOG-HNNXBMFYSA-N	423.509	4.866	10	40	HJCB	biogenic
O=C1c2ccccc2-c2onc3c(Oc4ccc(Cl)cc4)cc(NCCO)c1c23	5451722	MWHSVBHWVJMKDL-UHFFFAOYSA-N	406.825	4.889	10	40	HJCB	
COc1ccc(CN[C@@H](Cc2ccsc2)c2nccs2)cc1Cn1cccn1	19559460	MBZHKNJZHADQIN-IBGZPJMESA-N	410.568	4.532	10	40	HJCB	
Cc1ccc(SCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)cc1	32109503	LIQYQSIGDYZXFZ-AQTBWJFISA-N	401.578	4.997	10	40	HJCB	
CN1C(=O)/C(=C\c2ccc(OC(=O)c3cccc4ccccc34)cc2)SC1=S	5525349	DFFGWECDCRGFNU-CPNJWEJPSA-N	405.500	4.890	10	40	HJCB	
CCN(CC)c1ccc(/C=C2/SC(=S)N(C(=O)c3cccc(C)c3)C2=O)cc1	408822609	PAIUUKJWXFZWEL-XMHGGMMESA-N	410.564	4.883	10	40	HJCB	
Oc1ccccc1CN(Cc1ccco1)C[C@H](O)COc1ccc(Cl)cc1Cl	3425874	CZBLHLGOEJTEML-KRWDZBQOSA-N	422.308	4.734	10	40	HJCB	
CC(/C=C1\SC(=S)N(NC(=O)c2ccccc2Cl)C1=O)=C\c1ccccc1	5024320	MQEKZZUNGRTOPB-YMGXUNRSSA-N	414.939	4.833	10	40	HJCB	
CCN(CC)CCC[C@@H](C)N[C@H]1CCCc2cc3c(cc21)C(=O)c1ccccc1C3=O	5663713	RUZWRDWWSUENLH-CJAUYULYSA-N	418.581	4.940	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(Br)c1	13810509	FXMRKIHLMVWKFV-AQTBWJFISA-N	412.283	4.716	10	40	HJCB	
C=CCN1C(=O)/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)SC1=S	35045503	MHMWOIYCIWNGQH-YVLHZVERSA-N	400.481	4.859	10	40	HJCB	
CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1	219358742	LNWQRIYADVYMFJ-YDIMBITNSA-N	410.558	4.966	10	40	HJCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1O	222921408	MZCGQNNEJPVSIJ-XZOQPEGZSA-N	420.582	4.823	10	40	HJCB	
COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c(OC)c1	260737492	KVDHBTAFDZSPHK-DLBZAZTESA-N	413.587	4.988	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)cc1	408760925	AZRUFKUCKBIIPM-KGENOOAVSA-N	404.853	4.889	10	40	HJCB	
CC(=O)NC1=NC(=O)/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)S1	409023455	YNDSRHPCJJSQAV-XKZIYDEJSA-N	416.502	4.834	10	40	HJCB	
Cc1cccc(Nc2cc(N3CCOCC3)c3noc4c3c2C(=O)c2ccccc2-4)c1	100565664	VAUCNWXOFXOXLX-UHFFFAOYSA-N	411.461	4.928	10	40	HJCB	
COc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1	218741119	ICGIIAVZDGUPPF-UXHICEINSA-N	410.558	4.968	10	40	HJCB	
COc1ccc(C2=N/C(=C/c3ccc(OC)cc3OC)C(=O)N2c2ccccc2)cc1	408766779	RRVACQMQANRHHO-PXLXIMEGSA-N	414.461	4.547	10	40	HJCB	
O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S	8828320	QIMXBIBLKXFGQJ-FQRLUESJSA-N	415.923	4.836	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(O)=NC2=S)cc1C	59138129	WIJOKZAZJXJKPS-QGOAFFKASA-N	409.511	4.558	10	40	HJCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C	222876593	RAURRQBVQSPIAM-DHIUTWEWSA-N	420.582	4.880	10	40	HJCB	
COc1cccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)c1OC	409334284	VOQZXXOXRNZHIW-MHWRWJLKSA-N	403.550	4.832	10	40	HJCB	
O=S(=O)(Nc1ccc(O)c(Sc2nc3ccccc3s2)c1)c1ccccc1	8396941	QNCXLJHWIBYWBM-UHFFFAOYSA-N	414.533	4.954	10	40	HJCB	
COc1ccc(OC)c(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)c1	11619197	MOGWFYMTPIUKEF-UHFFFAOYSA-N	406.438	4.662	10	40	HJCB	
COc1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1O	28975364	HIKOVHKQAXROBF-NVNXTCNLSA-N	411.426	4.825	10	40	HJCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1	222927920	ZKLWKHJYSKESQZ-XZOQPEGZSA-N	419.598	4.821	10	40	HJCB	
COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1Br	1188283	LSEMRHWMXSXCAD-GDNBJRDFSA-N	406.326	4.864	10	40	HJCB	
COc1ccc(-c2c(C)c3ccc(O)c(CN4CCCCCC4)c3oc2=O)cc1OC	4353908	YRJDRQQMQXYMGW-UHFFFAOYSA-N	423.509	4.867	10	40	HJCB	biogenic
Cc1cc(C(=O)CSc2nc(C(C)C)n[nH]2)c(C)n1-c1ccc(OC(F)F)cc1	5931849	PHQMZRSGLZJZKS-UHFFFAOYSA-N	420.485	4.912	10	40	HJCB	
CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	7073063	ZPKSKKUXDGJEGH-MRXNPFEDSA-N	413.473	4.993	10	40	HJCB	
C[C@H]1CCC[C@@H](C)N1Cc1c(O)ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc12	13768312	RSYYLZFWVUFPHU-IYBDPMFKSA-N	421.493	4.700	10	40	HJCB	biogenic
CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1	218757759	IWHPEOXPRQJAPT-IMWIBFENSA-N	410.558	4.966	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)NC2=S)cc1	4364902	FFMWTWWXZAFBHT-STZFKDTASA-N	409.555	4.881	10	40	HJCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1cccc(Br)c1	9232991	GTKBAXRNGHERSI-RIYZIHGNSA-N	421.297	4.763	10	40	HJCB	
CCOc1ccc(NC2=NC(=O)/C(=C/c3ccc(O)c(Br)c3)S2)cc1	18193735	DFGKGIWGUMKOET-YBEGLDIGSA-N	419.300	4.636	10	40	HJCB	
CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c1C	20037370	RVYTZDQFSXPEFB-BPHBXOPHSA-N	406.511	4.660	10	40	HJCB	
CCN1/C(=C2/SC(=S)N(C3CCCCC3)C2=O)Sc2ccc(OC)cc21	100200775	YSHLPJWGXZMTFB-VLGSPTGOSA-N	406.598	4.989	10	40	HJCB	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1	12412758	SRDKXFHMUCLYFK-UXBLZVDNSA-N	400.605	4.954	10	40	HJCB	
CC1=CC2=NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)c(Cl)c3)C(=N)N2O1	41078326	XEWGHXRGYOQCQC-UTXWOTMXSA-N	411.820	4.508	10	40	HJCB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(OC)cc1OC	112290999	PCWYAKVPOSHRHB-STZFKDTASA-N	424.457	4.501	10	40	HJCB	
COC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3)C=C2c2ccccc2)cc1	2262370	CPFANDJJUVHHMI-LTGZKZEYSA-N	411.457	4.953	10	40	HJCB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(N(C)C)cc2)n2c(nc3ccccc32)N1	4735562	CAMNTGABBZHGPM-JOCHJYFZSA-N	404.514	4.735	10	40	HJCB	
CCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(OC(F)(F)F)cc1)CO3	20559439	VFBGGGLFDFMZOI-UHFFFAOYSA-N	405.372	4.919	10	40	HJCB	
COCCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1ccc(Cl)cc1	44085892	NFJDNYHXPFMMOC-UHFFFAOYSA-N	415.946	4.889	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2cccc(C)c2)cc1	83261284	QUSHULDVQCKIFX-JJIBRWJFSA-N	411.505	4.904	10	40	HJCB	
COc1ccccc1-n1c(C)cc(CN(C)C(=O)c2ccc3[nH]c(Cl)nc3c2)c1C	225985709	HBGLQCZHLATMBP-UHFFFAOYSA-N	422.916	4.905	10	40	HJCB	
CCc1ccccc1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c1C	408967603	RFDWPWGKYZSAGJ-HMAPJEAMSA-N	417.484	4.889	10	40	HJCB	
COc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(C)cc4)C3=O)c2C)cc1	409247851	OIXWHRDUIQGWAE-OEAKJJBVSA-N	415.493	4.504	10	40	HJCB	
C[C@H]1CCCN(Cc2c(O)ccc3c(-c4cc5ccccc5oc4=O)cc(=O)oc23)C1	4082296	RBLPNGHTIAUSCA-HNNXBMFYSA-N	417.461	4.504	10	40	HJCB	biogenic
COc1cc(OC)c(/N=N/c2[nH]cnc2C(=O)Nc2ccc(Cl)cc2)c(OC)c1	6693978	CZOSHRHQBFIGTF-OCOZRVBESA-N	415.837	4.757	10	40	HJCB	
CCN(CC)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1	14009078	FMRDSRSPGVVIKT-ZHZULCJRSA-N	423.538	4.516	10	40	HJCB	
CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1cccc(OCC)c1O)NC2	55211425	GENKECVRPZLRAE-HSZRJFAPSA-N	408.498	4.572	10	40	HJCB	
COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)ccc1OC(C)C	59860937	FVDBWHAYCMDCKN-GZTJUZNOSA-N	408.454	4.606	10	40	HJCB	
O=C(c1ccccc1)c1cc(Cl)ccc1N/C=C\c1nnnn1-c1ccccc1	100661764	HNSCUCCYOYLDDX-YPKPFQOOSA-N	401.857	4.630	10	40	HJCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3Cl)SC2=S)cc1	9232594	CLWFXONDALVDFR-MHWRWJLKSA-N	419.915	4.720	10	40	HJCB	
COc1ccccc1Oc1c(C)oc2c(CN3CCC[C@H](C)C3)c(O)ccc2c1=O	20390964	FOBSXTKJJGZMJG-HNNXBMFYSA-N	409.482	4.840	10	40	HJCB	biogenic
COc1cc(C2=NN(C(=O)[C@H](OC)c3ccccc3)[C@@H](c3cccs3)C2)ccc1O	95946429	XNFQKMJGCXDQLX-XMSQKQJNSA-N	422.506	4.528	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1cc(Br)cc2cccnc12	100943108	ZRABDBKFLXJLTI-ATVHPVEESA-N	407.271	4.716	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)C1	260466309	NBLBWIFZZOHGNA-LSDHHAIUSA-N	401.894	4.976	10	40	HJCB	
CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1	260578996	ZDCPZWKXUVZTAL-JQVVWYNYSA-N	410.558	4.966	10	40	HJCB	
Cc1cc(C(=O)COC(=O)Cc2ccsc2)c(C)n1-c1ccc(OC(F)F)cc1	3285888	DAFZONGOFFRDNY-UHFFFAOYSA-N	419.449	4.726	10	40	HJCB	
CCC(=O)Oc1ccc(/C=C2\C(=O)N(c3ccc(F)c(Cl)c3)N=C2C)cc1OC	5645350	JBWJWKMWTGYFNN-DHDCSXOGSA-N	416.836	4.609	10	40	HJCB	
COc1ccc(N2CCOCC2)c(NC(=O)COc2ccc(C3CCCCC3)cc2)c1	7496910	YWOYLKHOMSQTKI-UHFFFAOYSA-N	424.541	4.597	10	40	HJCB	
Cc1ccccc1OCCOc1ccc(Cl)cc1/C=C1\SC(=S)N(C)C1=O	26608460	ODWWDAMFAVXERS-PDGQHHTCSA-N	419.955	4.937	10	40	HJCB	
CN(C)c1ccc(CNC(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)cc1	58143893	NGBUZLUAFFJQEQ-UHFFFAOYSA-N	412.509	4.732	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@H](C)NC(=S)Nc3ccc(C(=O)N(C)C)cc3)cc2)C1	260742749	YSYIKQPTUILWHK-ROUUACIJSA-N	424.614	4.672	10	40	HJCB	
CCCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)SC1=S	409348679	OLJDKSRQXPAJRA-OQLLNIDSSA-N	407.900	4.909	10	40	HJCB	
Cc1c(C=O)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cc(Cl)cc(Cl)c1	1389602	LPHRIFBQWNOWOP-UHFFFAOYSA-N	408.306	4.976	10	40	HJCB	
Cc1ccc(Nc2cc(Br)c(N)c3c2C(=O)c2ccccc2C3=O)cc1	4182383	SPDRRRCQUXHHLH-UHFFFAOYSA-N	407.267	4.859	10	40	HJCB	
Cc1ccc(NC(=O)Cn2c(CCC(=O)O)ccc2-c2cccs2)cc1Cl	6811735	XWUNPYPSZNWCEB-UHFFFAOYSA-N	402.903	4.834	10	40	HJCB	
CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccccc2O)n2c(nc3ccccc32)N1	14607231	AMZOEWRITNCDRI-QHCPKHFHSA-N	410.477	4.978	10	40	HJCB	
COc1ccc(-c2c(C)oc3c(CN4CCC[C@H](C)C4)c(O)ccc3c2=O)cc1OC	20412485	KMVXTAKCDMFHMQ-HNNXBMFYSA-N	423.509	4.723	10	40	HJCB	biogenic
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C	222972653	AKHJSNJPDWGMRS-XZOQPEGZSA-N	419.598	4.965	10	40	HJCB	
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C(C)C	223654668	GVTZUMBJNUYETQ-UHFFFAOYSA-N	409.507	4.850	10	40	HJCB	
Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccccc1C(F)(F)F	924796	KWKDZZUGMJGTHR-UHFFFAOYSA-N	409.408	4.976	10	40	HJCB	
Cc1c(Cl)cccc1NC(=O)Cn1c(CCC(=O)O)ccc1-c1cccs1	6811734	BGTKLKOQXJERMP-UHFFFAOYSA-N	402.903	4.834	10	40	HJCB	
COc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br	408902192	LPUQNWOJRKDTEW-RIYZIHGNSA-N	405.679	4.917	10	40	HJCB	
CCN(CC)c1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)o1	409049233	YJROBVRLIRKTLN-DHZHZOJOSA-N	413.346	4.627	10	40	HJCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(Cl)cc1	2361952	KAQWQGGFUOJKTR-VBKFSLOCSA-N	402.928	4.570	10	40	HJCB	
COc1ccc(-n2c(C)cc(C(=O)CSc3nc(-c4cccs4)n[nH]3)c2C)cc1	2637068	QGDWHSPEXFQJPG-UHFFFAOYSA-N	424.551	4.924	10	40	HJCB	
CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S	5374198	MPKRQKMZUJJWBH-HIAXIYLWSA-N	404.340	4.694	10	40	HJCB	
CSCc1nc2ccccc2n1CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1	12544360	COPVWFTZUKGRGA-UHFFFAOYSA-N	422.598	4.548	10	40	HJCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3Cl)C2=O)cc1	59426741	VRWSKXHSLSFZFN-QPEQYQDCSA-N	409.656	4.622	10	40	HJCB	
CSc1ccc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc1	2532783	ZZPHUUANKHRCNL-UHFFFAOYSA-N	414.486	4.992	10	40	HJCB	
COc1ccc(C2=NN(C(=O)NC3CCCCC3)[C@H](c3ccccc3O)C2)c(OC)c1	13943839	REUGPVJFALPFHG-NRFANRHFSA-N	423.513	4.603	10	40	HJCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)c1	33374847	VDLWKUYEMWUDOM-MHHBVAOCSA-N	419.554	4.986	10	40	HJCB	
CCN(CC)c1ccc(N/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc1	103104741	MBKLLNOWILNQMY-AQTBWJFISA-N	412.877	4.605	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OC	409329869	IAUDNABHPSBQFV-MHWRWJLKSA-N	405.928	4.759	10	40	HJCB	
CC1CCN([C@H](C(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc2)CC1	141592736	FAFYXAARWIMOSM-VWLOTQADSA-N	405.586	4.766	10	40	HJCB	
CCN(CCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(OC)cc1	224992959	VVONIVMSZLUFQO-UHFFFAOYSA-N	404.938	4.539	10	40	HJCB	
CCN(CC)c1ccc(CN2C[C@H](c3ccc(OC)c(OC)c3)[C@H]3COCC[C@H]32)cc1	257297281	RGPUGLNZGJGCNA-WXFUMESZSA-N	424.585	4.555	10	40	HJCB	
O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/Nc1cccc2ccccc12	408534215	PRZQOTHBGCVMNR-HMMYKYKNSA-N	407.429	4.572	10	40	HJCB	
CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C1=O	409010885	GBPWXVHPPCBIJI-KZKLBEMASA-N	412.511	4.716	10	40	HJCB	
CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(Br)o3)SC2=S)c1	5371589	LGSLINCNIUZURW-MDWZMJQESA-N	408.298	4.651	10	40	HJCB	
CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S	54360599	HHQBOTMFWFHPJF-HAKPAVFJSA-N	419.499	4.786	10	40	HJCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F	83318698	ULRMJKXYGPWAPD-PDGQHHTCSA-N	415.411	4.887	10	40	HJCB	
C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)NCc1ccc(N2CCCCC2)cc1	141561419	DMFKFNOSXOTQHG-INIZCTEOSA-N	406.448	4.779	10	40	HJCB	
Fc1cc(Br)ccc1NC(=S)NCCCN1CCCc2ccccc21	225746166	XOBJXKOFRKVICH-UHFFFAOYSA-N	422.367	4.718	10	40	HJCB	
CCN(CC)c1ccc(/C=C(\Cl)c2nc(O)c3ccc(C(=O)OC)cc3n2)cc1	21191207	ZTWHTMBXOLBAPV-PDGQHHTCSA-N	411.889	4.705	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl	408770502	YGLBUOROPRGBPI-YVLHZVERSA-N	418.276	4.879	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(OC)c1	409346607	LRLDGYOYALNOMC-CAOOACKPSA-N	421.927	4.772	10	40	HJCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)NC1CCCCC1	6147553	GOVPEOYSBCXZSG-NUTLWWKQSA-N	414.596	4.673	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2F)cc1	6247455	GLXBESPGCHYYQP-XQNSMLJCSA-N	415.468	4.735	10	40	HJCB	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1cc([N+](=O)[O-])ccc1C	112287740	VEVALNSTYUHMOG-QNGOZBTKSA-N	408.458	4.801	10	40	HJCB	
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)C1	218120152	RVMDXPRMBCSOCS-HUUCEWRRSA-N	401.894	4.976	10	40	HJCB	
CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)ccc1OC(C)=O	409344385	JGRUUHOJOZYSTP-PDGQHHTCSA-N	405.541	4.545	10	40	HJCB	
Cc1ccc(S(=O)(=O)N2C=Cc3ccccc3[C@H]2c2ccc(N(C)C)cc2)cc1	3178504	XAGBUXHWUNKKOH-XMMPIXPASA-N	404.535	4.826	10	40	HJCB	
c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(N3CCOCC3)cc2)c1	5572448	XZAVUHKDEYOGSS-URXFXBBRSA-N	417.534	4.827	10	40	HJCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C	222966056	XLAXQUHDFJLMBR-GOTSBHOMSA-N	420.582	4.967	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1	5170490	CQVFXLFXXKUFKZ-XNTDXEJSSA-N	406.326	4.864	10	40	HJCB	
CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1ccc(Cl)cc1	112288082	KWMCADWCZXUXQX-UYRXBGFRSA-N	410.930	4.779	10	40	HJCB	
CCc1ccc(OCCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)cc1	33390901	YYMZNQLELZQECX-HKWRFOASSA-N	413.564	4.928	10	40	HJCB	
COc1ccc2c(c1)N(C)/C(=C1/SC(=S)N(c3ccc(F)cc3)C1=O)S2	102144939	KJTJIZJHHZDSHF-ICFOKQHNSA-N	404.513	4.610	10	40	HJCB	
Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)SC1=S	409200073	GNRVVBHFPFVHHD-WQRHYEAKSA-N	424.503	4.601	10	40	HJCB	
CCN1C(=O)/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)SC1=S	409376501	BHEJXRRRSDVOAH-ODLFYWEKSA-N	423.519	4.819	10	40	HJCB	
O=Cc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1	5375103	ZDMIXNLJBUCHGT-DHDCSXOGSA-N	404.310	4.667	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)C3(c4ccccc4)CCOCC3)cc2)C1	260760883	BUJADCVLZRGEIV-SFTDATJTSA-N	406.570	4.849	10	40	HJCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1	409022556	AZDQNLCRXQLUTB-LSCVHKIXSA-N	418.276	4.879	10	40	HJCB	
COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O	409127087	OXXDAMVDLIVAMP-WOJGMQOQSA-N	404.919	4.739	10	40	HJCB	
COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1O	409330696	MEZLNZAUIMEKNH-OQLLNIDSSA-N	422.325	4.569	10	40	HJCB	
CCc1cc(C)cc(OCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)c1	4550484	SDVITKKBCZKKQM-ZHZULCJRSA-N	413.564	4.846	10	40	HJCB	
CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C(=O)O1	4690645	RAJJYAFXJYSVSS-UHFFFAOYSA-N	418.829	4.544	10	40	HJCB	
O=C1c2ccccc2C(=O)c2c(NC(=O)c3cc(Cl)nc4ccccc34)cccc21	4996358	ZIZQTENQLBOWOE-UHFFFAOYSA-N	412.832	4.916	10	40	HJCB	
CCCCN1CCc2cc(/C=C3\C(=O)N(c4ccccc4F)C(=S)N=C3O)ccc21	33467185	VBLWDHJOGDCMRC-VKAVYKQESA-N	423.513	4.660	10	40	HJCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)c(OC)c3)N21	260759312	GAFCFUAEPZYHAF-WTNAPCKOSA-N	408.571	4.670	10	40	HJCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccc(Cl)cc2)N1c1ccc(O)cc1	408760352	XCHHEWAMFOZUFV-YBFXNURJSA-N	418.836	4.609	10	40	HJCB	
COc1ccccc1C1=N/C(=C/c2ccco2)C(=O)N1c1ccc(Br)cc1	408844772	PHNOTPBQLZVRGR-QGOAFFKASA-N	423.266	4.885	10	40	HJCB	
Cc1ccccc1COc1ccc(Cl)cc1/C=C1\C(=O)NN(c2ccccc2)C1=O	640803	XKMHTTVJXNITFH-KGENOOAVSA-N	418.880	4.689	10	40	HJCB	
CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)S1	8983615	JLQJWWPECBRTPY-MFOYZWKCSA-N	421.305	4.679	10	40	HJCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(O)=NC2=S)c1	59138116	XGKOKTDBAUAPND-QGOAFFKASA-N	409.511	4.558	10	40	HJCB	
CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCCC1	222595685	ULLNUJHLWSUSCZ-USCONSEESA-N	408.571	4.670	10	40	HJCB	
CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1	260577789	LNWQRIYADVYMFJ-GLDPYIMESA-N	410.558	4.966	10	40	HJCB	
Cc1cc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c(C)n1-c1ccc(F)cc1	24394758	ZBTXOJHIHMVNHX-UHFFFAOYSA-N	416.500	4.750	10	40	HJCB	
COc1ccc(OCCCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1	218741056	XUHJFCWYHNDEQI-HXUWFJFHSA-N	410.558	4.968	10	40	HJCB	
CCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)SC1=S	1024393	TYPORVFMRIUVTG-WQRHYEAKSA-N	403.500	4.634	10	40	HJCB	
COc1ccc(-c2cnc(SCC(=O)Nc3nc(C)cs3)n2CC(C)C)cc1	44085803	UDFGKZUASOPGEC-UHFFFAOYSA-N	416.572	4.710	10	40	HJCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C	222837967	NGHKLLBLRWFRID-SFTDATJTSA-N	405.571	4.573	10	40	HJCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Cc1cccc(Cl)c1	256055371	DREOEPVWOHOURX-PDGQHHTCSA-N	419.930	4.882	10	40	HJCB	
CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C1=O	409018397	WQABCCDZGVUBEJ-KZKLBEMASA-N	412.511	4.716	10	40	HJCB	
O=C(O)c1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1	2208920	MSVZBBATVMKDKE-RGEXLXHISA-N	412.401	4.764	10	40	HJCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1Nc1ccc(F)cc1	24192634	YIDVGTIJONIOES-UHFFFAOYSA-N	419.500	4.678	10	40	HJCB	
CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)N=C2S1	33591579	OKARIAYNLRQBQL-FNYLDBEHSA-N	405.527	4.857	10	40	HJCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C	222973080	VOFXEWITYYVDCP-GOTSBHOMSA-N	419.598	4.965	10	40	HJCB	
COc1cc(C2=NN3[C@H](c4ccncc4)Oc4ccc(Cl)cc4[C@H]3C2)ccc1O	245093445	RNSMZTZHSGGJRT-GCJKJVERSA-N	407.857	4.692	10	40	HJCB	
COc1ccc(N2N=C(C(C)=O)N(c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1	2138146	DMWMYLLPIUNVJZ-RUZDIDTESA-N	414.509	4.689	10	40	HJCB	
CC(C)(C)c1ccc(OCCOc2ccc(/C=C3\SC(=S)NC3=O)cc2)cc1	4590691	HMMDKDGJKCLEEA-RGEXLXHISA-N	413.564	4.931	10	40	HJCB	
CCCOc1ccccc1/C=C1\SC(N2CCN(c3cccc(C)c3)CC2)=NC1=O	12436904	LRQFJTYCCHWSHU-XLNRJJMWSA-N	421.566	4.576	10	40	HJCB	
CC1=NN(c2ccccc2C)C(=O)/C1=C/Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	101141790	PNYLNAMZXXJRGA-UKTHLTGXSA-N	405.241	4.929	10	40	HJCB	
CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c1	225695954	SPMWWXMLZKYFHF-QGZVFWFLSA-N	411.571	4.820	10	40	HJCB	
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)C(=O)NC1=S	409105129	GOKKQAXYFDWJQE-FOWTUZBSSA-N	422.893	4.740	10	40	HJCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCc2ccc(F)cc2)cc1	112286912	KJPICVZISLFPPK-QJOMJCCJSA-N	415.468	4.649	10	40	HJCB	
Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)n1-c1ccccc1	223366348	CYMUSDHMIHWTPU-DHIUTWEWSA-N	414.534	4.946	10	40	HJCB	
CCCCCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1	408537942	IJHFJRKNCBRBNL-JWGURIENSA-N	420.509	4.929	10	40	HJCB	
Cc1cccc(O[C@@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)c1C	28288277	GEFWPSPQGBPKPB-FQEVSTJZSA-N	403.526	4.765	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4nccn4C)cc3)SC2=S)cc1	40139647	UYAZEESKFFDFQW-CPNJWEJPSA-N	421.547	4.713	10	40	HJCB	
COc1cccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1OC	1250912	HLWJHRIWGHXJII-OVCLIPMQSA-N	409.891	4.902	10	40	HJCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1Sc1ccc(Cl)cc1	33742251	AIBQWUGMCWZEPN-RGEXLXHISA-N	406.894	4.953	10	40	HJCB	
CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S	44928839	KXQATLCFFYOEKX-FBKCMUNRSA-N	405.472	4.540	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccc(Br)cc2)cc1	59229248	BEUBWIHFWUGGFQ-CPNJWEJPSA-N	423.266	4.885	10	40	HJCB	
CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)C(C)=C2C(=O)OC)cc1	409015756	FCGGGHJVAOGARP-UNOMPAQXSA-N	411.885	4.924	10	40	HJCB	
CN(C)c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1	7365569	UNRHCNYXPCRSMV-WJDWOHSUSA-N	401.875	4.674	10	40	HJCB	
COCCCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=S	13547868	KAMGTWRAIAMYHO-ZHZULCJRSA-N	413.564	4.812	10	40	HJCB	
CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N=C2S1	33888651	ZYSCOQGNPUOFAO-GLNJVZSPSA-N	423.567	4.651	10	40	HJCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)o2)cc1	59336648	NKGYWDJJCNPRKD-LDADJPATSA-N	422.437	4.545	10	40	HJCB	
COc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)cc1	20036332	GMONDRKMAQPNGZ-CIAFOILYSA-N	421.884	4.853	10	40	HJCB	
Cc1cccc(C)c1OCCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1	33390934	RZJLTNZPYSRULI-RGEXLXHISA-N	413.564	4.982	10	40	HJCB	
COc1ccc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(=S)N=C2O)cc1Cl	83320451	RPZICZOCXARUOJ-DHDCSXOGSA-N	400.887	4.637	10	40	HJCB	
O=C(O)CN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	2672831	WQVCLZAUFRUGJG-MLPAPPSSSA-N	414.291	4.539	10	40	HJCB	
COc1ccc(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)c(OC)c1	11619287	RWPCMAOKPVZQRP-UHFFFAOYSA-N	406.438	4.662	10	40	HJCB	
C/C(NC1CCCCC1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	100429108	SMDYJISASLCELV-RVDMUPIBSA-N	408.449	4.758	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccccc3)C2=O)cc1OC	408762565	DUWJLIJSCNYQHA-XSFVSMFZSA-N	402.425	4.677	10	40	HJCB	
CCc1ccccc1-n1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)c1C	408965734	IESQZNKMHZGYSP-HMAPJEAMSA-N	417.484	4.889	10	40	HJCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)NC2=S)c1	409243532	SDHCNIHULNGMRW-LDADJPATSA-N	420.465	4.534	10	40	HJCB	
Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1	9308322	PZAJALWYDMAYEK-URYGWFBQSA-N	418.309	4.650	10	40	HJCB	
CCCCOc1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1OC	409207132	PNRUMPLACSECHY-UYRXBGFRSA-N	416.568	4.830	10	40	HJCB	
COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)[C@@H](OC)c2ccccc2)c1O	9260524	MQDFEXNUPXUNNQ-AVRDEDQJSA-N	422.506	4.528	10	40	HJCB	
CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)N=C2S1	41108113	MMXNDVRYGNTGCN-MHLBDSSXSA-N	413.506	4.886	10	40	HJCB	
C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)C1	223699203	HISWUPUQVWCNJE-AWEZNQCLSA-N	413.370	4.708	10	40	HJCB	
O=C(O)c1cc(N2C(=O)/C(=C/C(Cl)=C/c3ccccc3)SC2=S)ccc1O	8828324	UFPDLVIUTNXDNN-FNOQKXNMSA-N	417.895	4.619	10	40	HJCB	
Cc1ccccc1COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O	13892908	XKMHTTVJXNITFH-STZFKDTASA-N	418.880	4.689	10	40	HJCB	
O=C1NC(=S)S/C1=C\c1cc(Br)ccc1OCc1ccc(F)cc1	17093792	AWKILONKVSYMSS-NVNXTCNLSA-N	424.316	4.656	10	40	HJCB	
N=C1/C(=C/c2cccn2-c2cccc(F)c2)C(=O)N=C2SC(C3CCCCC3)=NN12	41076361	LLRYZCMFHWJMDN-DHKQOHTGSA-N	421.501	4.816	10	40	HJCB	
O=C1/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)SC(=S)N1c1ccccc1	96593681	HYCHCDFEGIRNTD-QGOAFFKASA-N	407.476	4.791	10	40	HJCB	
Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1	225596129	VFYXEJLOJGRHJD-UHFFFAOYSA-N	403.862	4.819	10	40	HJCB	
COc1ccc2cc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(Cl)nc2c1	256055608	NACLUKVPEHWUKB-PXNMLYILSA-N	416.911	4.891	10	40	HJCB	
CCOc1cc(/C=C2/SC(Nc3ccc(Br)cc3)=NC2=O)ccc1O	1864265	JWLYONQBLQOCFE-MHWRWJLKSA-N	419.300	4.636	10	40	HJCB	
C[C@@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	4965709	URFOUXZXDMHVFA-CYBMUJFWSA-N	405.837	4.521	10	40	HJCB	
COC(=O)c1ccc(C)c(-n2c(C)cc([C@H]3NN=C(c4ccccc4)S3)c2C)c1	6966972	NPBFOVRIYNGEIX-QFIPXVFZSA-N	405.523	4.886	10	40	HJCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C	222876490	RAURRQBVQSPIAM-PKTZIBPZSA-N	420.582	4.880	10	40	HJCB	
COc1ccc(C2=N/C(=C/c3ccc(OC)c(OC)c3)C(=O)N2c2ccccc2)cc1	408998352	UHVZHRLHASSRMK-RCCKNPSSSA-N	414.461	4.547	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3cn(C(C)C)c4ccccc34)C(O)=NC2=S)cc1	2373834	IQWOADPEBNULID-UNOMPAQXSA-N	419.506	4.902	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1	6307889	NQWWHCIQHFVMSU-ZHZULCJRSA-N	414.417	4.625	10	40	HJCB	
COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc(OC)c1OC	100540822	PWBFXJYOWDQSCE-VGOFMYFVSA-N	421.280	4.825	10	40	HJCB	
CC(C)(C)OC(=O)N1[C@H]([C@@H](O)c2ccc(Cl)cc2)CC[C@@H]1Cc1ccc(N)cc1	1547139866	BGQMRUFDNJNUBV-HKBOAZHASA-N	416.949	4.966	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-n2nncc2-c2ccccc2)cc1	12574540	FAOHMGJMBUICCS-XQNSMLJCSA-N	405.461	4.740	10	40	HJCB	
C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2ccccc21	13123222	YVQULGCTJAIVKM-SCBQMXHTSA-N	413.521	4.924	10	40	HJCB	
CCOc1cc(Br)cc(/C=C2\SC(Nc3ccccc3)=NC2=O)c1O	15989730	DSBUFQAVAXLXMZ-DHDCSXOGSA-N	419.300	4.636	10	40	HJCB	
COc1ccccc1C1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccc(C)cc1	408844970	PVESIGISUFKDGH-HAVVHWLPSA-N	411.505	4.904	10	40	HJCB	
Cc1cc(C(=O)N2CCC(C(=O)c3cc(F)ccc3F)CC2)c(C)n1-c1ccccn1	84081348	BBDAWTXCENACIX-UHFFFAOYSA-N	423.463	4.502	10	40	HJCB	
O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2	871766	ZTCFLIAQZSENEG-UYSIFFEZSA-N	414.255	4.703	10	40	HJCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1	2784837	WTDGWNYOCYPMLL-FYJGNVAPSA-N	405.885	4.840	10	40	HJCB	
CCc1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1	13807475	LAUPTUCWYNMTDT-ZHZULCJRSA-N	411.958	4.695	10	40	HJCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(SCc4ccco4)o3)C(=O)N=C2S1	41082908	FRGKAUUJKQBCNU-IUUVDYQKSA-N	414.512	4.974	10	40	HJCB	
O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(O)=NC(=S)N1c1ccccc1F	59135962	ZLROQARXOARQJU-RVDMUPIBSA-N	410.401	4.896	10	40	HJCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(F)cc1	1183396	ZWOXABRANGGYAG-LFIBNONCSA-N	420.918	4.709	10	40	HJCB	
Cc1cc(C(=O)CSc2ncnc3sccc23)c(C)n1-c1ccc2c(c1)OCO2	9414077	VEPVOTUAFFAFMD-UHFFFAOYSA-N	423.519	4.803	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(O)cc3)C2=O)c(OC)c1	408759433	DYNFNDPWWLXCQV-HYARGMPZSA-N	414.461	4.552	10	40	HJCB	
CC(/C=C1\SC(=S)N(CC(=O)Nc2cccc(C)c2)C1=O)=C\c1ccccc1	1263831	RBRRQUSMDRNUMX-HANPTPSWSA-N	408.548	4.781	10	40	HJCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2cccc(F)c2)C1=O	4536661	QZELQONPHJUPKH-HIMLSBAZSA-N	412.511	4.612	10	40	HJCB	
CCN1C(=O)N=C(O)/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O	5947738	WCLUUDMSENRBBT-WOJGMQOQSA-N	407.857	4.665	10	40	HJCB	
O=C1NC(=S)S/C1=C\c1cn(CCOc2ccccc2Cl)c2ccccc12	13424365	VOIFKBASMWDINZ-WQRHYEAKSA-N	414.939	4.863	10	40	HJCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3Cl)C2=O)c1	59426660	RHMKLHUJQAFWTP-AUWJEWJLSA-N	423.683	4.930	10	40	HJCB	
C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1	219204239	VWICNFACEBRNTI-MOPGFXCFSA-N	405.542	4.541	10	40	HJCB	
CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O	408819881	YSYYJQVJXYSUFC-XSFVSMFZSA-N	414.461	4.522	10	40	HJCB	
CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)C1=O	409018543	HQXPDRMVUXVVRC-ZGXHQARYSA-N	412.511	4.936	10	40	HJCB	
CC(=O)NC1=NC(=O)/C(=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)S1	409026245	JUEZPVGBKNPOSA-MTJSOVHGSA-N	420.465	4.664	10	40	HJCB	
COc1ccc2[nH]cc(CCn3c4c(c5ccccc5c3=O)C(=O)c3ccccc3-4)c2c1	604404746	RKKMDBBJTLHWCL-UHFFFAOYSA-N	420.468	4.946	10	40	HJCB	biogenic
Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c(C)n1-c1cccc(F)c1	10058949	NTNLEYZRQPLFBT-UDWIEESQSA-N	409.461	4.868	10	40	HJCB	
O=C1/C(=C\c2ccc(I)cc2)SC(=S)N1c1ccccc1	13476476	PVPHQTIBJHCJOO-GXDHUFHOSA-N	423.300	4.697	10	40	HJCB	
CCCCN1CCc2cc(/C=C3\C(=O)N(c4cccc(C)c4)C(=S)N=C3O)ccc21	33590169	PCILAYSIDNTHNW-HKWRFOASSA-N	419.550	4.829	10	40	HJCB	
COc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccc(C)c(C)c2)C(=O)N=C1O	83318973	UUOGTQOONIEITN-DEDYPNTBSA-N	400.434	4.972	10	40	HJCB	
O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1C(=O)c1ccccc1F	408719700	PGMCSLBTFPQQNY-NTEUORMPSA-N	422.300	4.630	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1Cl	1416312	DJBCAYWKUIQROC-LICLKQGHSA-N	404.944	4.820	10	40	HJCB	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC	1416722	IJLDJHGVKGGDKF-CPNJWEJPSA-N	414.552	4.566	10	40	HJCB	
Cc1cc(C(=O)COC(=O)c2cccnc2Cl)c(C)n1-c1cccc(Cl)c1	5711460	OMYABEYCFGYBSL-UHFFFAOYSA-N	403.265	4.836	10	40	HJCB	
COc1ccc(N2CCN(C(=S)c3ccccc3OCc3ccccc3)CC2)cc1	9188027	NNLAMGRFSCIHQO-UHFFFAOYSA-N	418.562	4.772	10	40	HJCB	
O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(CN2CCc3ccccc32)cc1	20454525	MVEIILIGZDSTSM-UHFFFAOYSA-N	411.549	4.780	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2cccc(C)c2)cc1	408842824	LAPQHDMPUZIBPQ-RCCKNPSSSA-N	413.433	4.746	10	40	HJCB	
O=C1/C(=C\c2ccccc2)SC(=S)N1CNc1cccc(Br)c1	3088884	WHEVNPUXBWOMNE-OQLLNIDSSA-N	405.342	4.720	10	40	HJCB	
CCOC(=O)CSc1ncc(-c2ccc(Br)cc2)n1Cc1ccco1	44085413	OAAFRWORDBHLSH-UHFFFAOYSA-N	421.316	4.609	10	40	HJCB	
COc1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1OC	409338151	DWUBVHYHPZKXKQ-LICLKQGHSA-N	403.550	4.832	10	40	HJCB	
Cc1ccc([C@@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)cc2C)nc1	19215497	QUCHKEPFZSMISH-XMMPIXPASA-N	407.583	4.670	10	40	HJCB	
CCCCN1CCc2cc(/C=C3\C(=O)N(c4ccc(C)c(C)c4)C(=O)N=C3O)ccc21	35124990	DMNGZNUFXGIKGE-QNGOZBTKSA-N	417.509	4.973	10	40	HJCB	
Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1	35349278	NQLPCWUBVLNAGO-AREMUKBSSA-N	413.565	4.590	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccc(C)c1	408589249	ZMHIGUJTEXCTDO-WQRHYEAKSA-N	401.384	4.891	10	40	HJCB	
COC(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc1	409345348	LJPKKAZEMAYKGM-CXUHLZMHSA-N	419.911	4.541	10	40	HJCB	
O=c1cc(CSc2nnc(-c3ccco3)c(-c3ccco3)n2)c2ccccc2[nH]1	933460	ZPBRJXLSJQIEIB-UHFFFAOYSA-N	402.435	4.525	10	40	HJCB	
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(F)c(Cl)c1	1862810	DQMQTMMBJXPHFV-XNTDXEJSSA-N	424.906	4.692	10	40	HJCB	
O=C(NCc1cc([N+](=O)[O-])ccc1O)c1cc(-c2cccs2)nc2ccccc12	34864581	DCUMYJCKFBOFFC-UHFFFAOYSA-N	405.435	4.507	10	40	HJCB	
CC1CCN(c2ccc([C@@H](C)NC(=O)C3(c4ccccc4)CCOCC3)cc2)CC1	225383202	NHKBGXBKCRGCLG-OAQYLSRUSA-N	406.570	4.849	10	40	HJCB	
CCN1C(=O)/C(=C\c2ccc(Cl)s2)C(=O)N(c2ccc(Cl)cc2)C1=S	409017624	VKNRTJXWPAQGEB-UKTHLTGXSA-N	411.335	4.619	10	40	HJCB	
COc1ccc(-c2cc(=O)c3c(CN(C)Cc4ccccc4)c(O)ccc3o2)cc1	1321154	YXMVZNCUHKKFII-UHFFFAOYSA-N	401.462	4.806	10	40	HJCB	
Cc1ccc(O)c(NC2=NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)c1	8821859	FERUTKFERRBERV-YBFXNURJSA-N	421.434	4.951	10	40	HJCB	
CC(=O)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	35833118	WRPSQJOSQVCKJA-DSNGMDLFSA-N	419.480	4.709	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C/c1c(F)cccc1Cl	103398502	YCUCIYPFUJKCBV-SFQUDFHCSA-N	415.848	4.755	10	40	HJCB	
CC1CCN(c2ccc([C@H](C)NC(=S)Nc3ccc(C(=O)N(C)C)cc3)cc2)CC1	225657259	GGODFHQTHUSJGV-SFHVURJKSA-N	424.614	4.672	10	40	HJCB	
CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)SC1=S	5374772	RUNIREODMSZWIL-OVCLIPMQSA-N	406.891	4.562	10	40	HJCB	
COc1ccc(Nc2cc(NC(C)C)c(N)c3c2C(=O)c2ccccc2C3=O)cc1	5451445	LJIKHEYOZHMNCK-UHFFFAOYSA-N	401.466	4.617	10	40	HJCB	
CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	30854115	RFHNIQLGUDFPAP-HXUWFJFHSA-N	404.963	4.568	10	40	HJCB	
O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S	32594006	FYZZPIYKKJJFAG-SFQUDFHCSA-N	419.499	4.932	10	40	HJCB	
CN(C)c1ccc(/C=C2\SC(=O)N(CNc3cccc(C(F)(F)F)c3)C2=O)cc1	33718934	NXKIFXWLEQFHPO-YVLHZVERSA-N	421.444	4.877	10	40	HJCB	
CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O	408803155	LUCFZELTAGLDHL-CPNJWEJPSA-N	420.852	4.558	10	40	HJCB	
CC1(C)C[C@@](C)(c2ccc(O)cc2O)N(c2cccc(C(F)(F)F)c2)C(=S)N1	1023135	GAMGOBHIXZHWAS-IBGZPJMESA-N	410.461	4.895	10	40	HJCB	
CCCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)N=C1S	9109774	CKQGNGJXYDTKAG-PDGQHHTCSA-N	415.946	4.586	10	40	HJCB	
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C)cc3C)C2=O)cc1	13785925	PGXJRIDCIFKDHU-UYRXBGFRSA-N	410.564	4.842	10	40	HJCB	
CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)Nc2cccnc2)C1=O	26779784	WRWDMYCIQDOTIZ-HARCQHEZSA-N	423.563	4.648	10	40	HJCB	
CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1N1CCCC1	260783901	ULLNUJHLWSUSCZ-URZJWIJPSA-N	408.571	4.670	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(C)cc3)C2=O)cc1OC	408763741	QNFBEEJRSWNIMM-KGENOOAVSA-N	416.452	4.986	10	40	HJCB	
Cc1c(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc2n1C	409348133	RORLKTOYVYMPCB-WOJGMQOQSA-N	409.492	4.801	10	40	HJCB	
COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)[C@H](OC)c2ccccc2)c1O	9260522	MQDFEXNUPXUNNQ-XMSQKQJNSA-N	422.506	4.528	10	40	HJCB	
c1ccc2c3c(cc(N4CCOCC4)c2c1)O[C@]1(N2CCCCC2)CCCC[C@H]1O3	20528599	NYEAMANZCHMFME-ILBGXUMGSA-N	408.542	4.572	10	40	HJCB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccccc1F	26712616	SIQDWLYZSVTTHE-CPNJWEJPSA-N	422.843	4.520	10	40	HJCB	
COc1ccccc1CN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	112286961	UEUWZTVVVGSIHD-QJOMJCCJSA-N	415.468	4.649	10	40	HJCB	
CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1	219564940	AZHXSXMNRYBSOY-KNQAVFIVSA-N	410.558	4.966	10	40	HJCB	
COc1c(Cl)cc(Cl)cc1C[C@@H]1SC(=S)N(Cc2ccco2)C1=O	8106480	AWVKWODPOMJTPH-ZDUSSCGKSA-N	402.324	4.567	10	40	HJCB	
O=C(O)CCCCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S	33039434	JXTDCUHJZLYLQT-LFIBNONCSA-N	405.472	4.542	10	40	HJCB	
Cc1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2O)c(C)n1-c1ccc(F)cc1	1274370	CURLGUIQFYSJEN-BKUYFWCQSA-N	417.440	4.736	10	40	HJCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2Sc2ccccc2)C1=O	3363444	FZLYISOXUHQWCP-XDJHFCHBSA-N	414.486	4.813	10	40	HJCB	
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccccc1Cl	4745566	STFCGLFTKJQGGX-RVDMUPIBSA-N	406.916	4.553	10	40	HJCB	
CCC1=NN2C(=N)/C(=C/c3ccc(O[C@H](C)c4ccccc4)cc3)C(=O)N=C2S1	4860207	VJQFORICOCHVDZ-ZFHXPGQGSA-N	404.495	4.856	10	40	HJCB	
COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccccc1OCc1ccccc1	33732890	VHLYSJUHQOGNIU-JWGURIENSA-N	417.505	4.881	10	40	HJCB	
Cc1cc(C)c(N2C(=O)N=C(O)/C(=C/N[C@@H]3C[C@@H]4CC[C@]3(C)C4(C)C)C2=O)c(C)c1	102558906	ZIJZQFADSMDGSP-JGCHXTLESA-N	409.530	4.723	10	40	HJCB	
Cc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1-c1ccc(Cl)cc1	1186986	OVMMVVBCGKLMPL-YBFXNURJSA-N	423.856	4.843	10	40	HJCB	
O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S	12032593	RTCLCTZDAZPLDH-KQGZCTBQSA-N	407.875	4.506	10	40	HJCB	
CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1	12592239	AUMMGCBYBIMBMR-UHFFFAOYSA-N	412.493	4.742	10	40	HJCB	
CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)c2C)cc1	16268439	CIIGTBGUZGMLID-IWIPYMOSSA-N	413.477	4.826	10	40	HJCB	
COc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OC	219281648	SVWFIZGSHJCHEX-LJQANCHMSA-N	410.558	4.750	10	40	HJCB	
CC(C)N1c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2[C@@H](C)CC1(C)C	223555611	UWERWTYVWOXPIS-GLFIFPSUSA-N	417.578	4.958	10	40	HJCB	
O=C(NN1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S)c1cccs1	409331878	PEMHNCLEYRGBTK-YRNVUSSQSA-N	415.348	4.601	10	40	HJCB	
Cc1c(O)ccc2c1oc1c(-c3ccc(O)c(O)c3)c3c(O)nn(C(C)C)c3nc12	79494122	IAENQDVIPMSRSW-UHFFFAOYSA-N	405.410	4.709	10	40	HJCB	
CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1	219358442	NZLQBXWAUCBSCK-YADARESESA-N	410.558	4.966	10	40	HJCB	
CCn1c(/C=C/c2ccc(N(C)C)cc2)nc2cc(S(=O)(=O)C(F)(F)F)ccc21	12548251	VDNDSKQDGZBEQZ-KPKJPENVSA-N	423.460	4.586	10	40	HJCB	
CCOc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccccc4)C3=O)c2C)cc1	409015524	RKBPLXUGLMPQJP-PXLXIMEGSA-N	401.466	4.590	10	40	HJCB	
Cc1cc(S(=O)(=O)O)c(/N=N/c2c(O)c(C(=O)O)cc3ccccc23)cc1Cl	31362343	LZNMMJSXOXXHFD-QZQOTICOSA-N	420.830	4.868	10	40	HJCB	
CCCn1cc(/C=C2\C(=O)N(c3ccccc3OC)C(=O)N=C2O)c2ccccc21	33332484	YRHAXODERQNCPA-LGMDPLHJSA-N	403.438	4.567	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cccc(Cl)c1Cl	59959225	CIEYPSILWNHGQG-YBEGLDIGSA-N	418.276	4.879	10	40	HJCB	
CC1CCN(c2ccc([C@H](C)NC(=S)Nc3ccc4c(c3)OCCO4)cc2)CC1	225655528	GJVZXRHSJPUQHL-KRWDZBQOSA-N	411.571	4.742	10	40	HJCB	
CCOc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1C(C)C	408961867	OWJTXXWNOOKRHT-FYJGNVAPSA-N	420.509	4.800	10	40	HJCB	
Cn1cccc1/C=C1/SC(=S)N(CCCCCCCCCCC(=O)O)C1=O	5371620	PMSALFUNFHRJRT-BMRADRMJSA-N	408.589	4.822	10	40	HJCB	
COc1ccc(-c2c(C)oc3c(CN4CCCCCC4)c(O)ccc3c2=O)cc1OC	20358687	HFHSMLHVKGDRMN-UHFFFAOYSA-N	423.509	4.867	10	40	HJCB	biogenic
CC1=NN2C(=N)/C(=C\c3cn(Cc4ccccc4C)c4ccccc34)C(=O)N=C2S1	26681008	QZFLBYHKNKLVDH-PPHIJBTASA-N	413.506	4.637	10	40	HJCB	
O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(O)=NC(=S)N1c1ccccc1F	59136046	PLPMLCOGYQDHOE-WEVVVXLNSA-N	411.241	4.510	10	40	HJCB	
C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCc1nc(-c2ccco2)no1	95465441	MAZAVEJKXVEAEE-KRWDZBQOSA-N	417.465	4.758	10	40	HJCB	
Cc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)cc(C)c1OCc1ccccn1	97053885	HVRYMGMPTPFFCQ-XSFVSMFZSA-N	407.539	4.734	10	40	HJCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(OC)c3)N21	222679807	GAFCFUAEPZYHAF-VOQZNFBZSA-N	408.571	4.670	10	40	HJCB	
CCOC(=O)Cn1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)c2ccccc21	1004442	INXZLCSADCJNFG-RGVLZGJSSA-N	421.884	4.664	10	40	HJCB	
CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCCC[C@@H]2C)c1O	4247253	HSECWTLJMNNWOK-HNNXBMFYSA-N	417.509	4.979	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(Cc4ccccc4)c3C)C(=O)N=C2S1	5217504	PJSHAJIBWBDIIM-ZXTIBJMCSA-N	405.527	4.573	10	40	HJCB	
O=C1/C(=C\Nc2cc(C(F)(F)F)ccc2Cl)SC(=S)N1C[C@@H]1CCCO1	8836379	KRHHIVVHIGXCFT-JLATVTFTSA-N	422.881	4.651	10	40	HJCB	
Cc1ccccc1OCCOc1ccc(Cl)cc1/C=C1/SC(=S)N(C)C1=O	13941865	ODWWDAMFAVXERS-LDADJPATSA-N	419.955	4.937	10	40	HJCB	
Cc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3Cl)C(=O)N=C2O)cc1[N+](=O)[O-]	17092075	RSCCJZDWCKPHRS-XFFZJAGNSA-N	420.208	4.717	10	40	HJCB	
CCN1C(=O)/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)SC1=S	108239396	PKFJZMIZENWEFL-UNOMPAQXSA-N	421.547	4.501	10	40	HJCB	
CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1	217872390	HNTJQLMZNZYICW-OAHLLOKOSA-N	401.894	4.976	10	40	HJCB	
COc1ccc(OC)c(/C=C2/SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)c1	2443856	YAHBJEYICDUDAT-CXUHLZMHSA-N	408.401	4.805	10	40	HJCB	
O=C1/C(=C/c2ccccc2)SC(=S)N1CNc1ccccc1Br	3149848	BLRNNISMEFBWDK-GDNBJRDFSA-N	405.342	4.720	10	40	HJCB	
CCN(CC)CCC[C@H](C)N[C@H]1CCCc2cc3c(cc21)C(=O)c1ccccc1C3=O	5663715	RUZWRDWWSUENLH-BVZFJXPGSA-N	418.581	4.940	10	40	HJCB	
S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(Oc2ccccc2)nc1	223953589	VYOFUBVVQQVQST-UHFFFAOYSA-N	404.539	4.961	10	40	HJCB	
CCCCCCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1	6210101	GEPIBMBSVZNEFE-VKAVYKQESA-N	407.557	4.712	10	40	HJCB	
COc1ccc2ccccc2c1/C=C1/SC(=S)N(c2cccc(C(=O)O)c2)C1=O	95949644	IOVMYYITWFVNTD-XDHOZWIPSA-N	421.499	4.952	10	40	HJCB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(O)c(OC)c1	100317727	DSCZULPEOTUPDS-XNTDXEJSSA-N	415.287	4.750	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccc(C)cc2)cn1	408782686	YJFZUBFXXHBJBZ-CPNJWEJPSA-N	413.433	4.778	10	40	HJCB	
COc1ccc(Oc2c(C)oc3c(CN4CCCCCC4)c(O)ccc3c2=O)cc1	20443740	XXSZKTRVOOQBIE-UHFFFAOYSA-N	409.482	4.984	10	40	HJCB	biogenic
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(O)cc1	222831114	XQZIWRIDWXGGAV-YADHBBJMSA-N	406.555	4.576	10	40	HJCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccn1	222909414	MSZIUYMQBBAIOH-FCHUYYIVSA-N	405.571	4.513	10	40	HJCB	
S=C(NCCCN1CCCc2ccccc21)Nc1ccc(Br)cc1	225745026	GZGPZUUAKQKRMA-UHFFFAOYSA-N	404.377	4.578	10	40	HJCB	
O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C\c1ccccc1Cl	2382024	RPUKTMDVUOIJLB-AQTBWJFISA-N	418.349	4.786	10	40	HJCB	
O=C1N=C(O)N(C2CCCCC2)C(=O)/C1=C\c1c(-c2ccccc2)[nH]c2ccccc12	9014175	IQCRJAJFXZWWRY-HKWRFOASSA-N	413.477	4.834	10	40	HJCB	
COc1cc2c(cc1NCC(=O)Nc1ccc([N+](=O)[O-])cc1C)oc1ccccc12	11619420	JAGNJZUPLUOASJ-UHFFFAOYSA-N	405.410	4.862	10	40	HJCB	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(CSc2ccccc2)cc1	13632049	JWDJXMBWOAUDQH-UHFFFAOYSA-N	418.562	4.746	10	40	HJCB	
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3ccc4c(c3)OCCO4)cc2)C1	222644868	GGIPJEVPABBAOE-RTBURBONSA-N	408.542	4.504	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccccc2OC)cc1	408844477	TVSVJTLUWQJPCT-LTGZKZEYSA-N	414.461	4.547	10	40	HJCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1cccc(O)c1	409024056	STKWFPPRZIHNTA-IDUWFGFVSA-N	404.249	4.576	10	40	HJCB	
Cc1ccccc1N1C(=O)/C(=C/c2cc(C)n(C3CCCCC3)c2C)C(=O)NC1=S	409247300	MEFFCYCMSLGEFT-XSFVSMFZSA-N	421.566	4.750	10	40	HJCB	
CCN(CC)c1ccc(NC2=NC(=O)/C(=C\c3ccc(Br)o3)S2)cc1	8821715	HJMLKLUTWLNZBU-RVDMUPIBSA-N	420.332	4.971	10	40	HJCB	
CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)c1C	12587338	ICQDFCHDWSXLMO-GOSISDBHSA-N	406.482	4.670	10	40	HJCB	
COc1ccc2cccc(/C=C3\C(=O)NN(c4ccc(Cl)c(Cl)c4)C3=O)c2c1	17293483	AHIIWXIAQWBGRG-RQZCQDPDSA-N	413.260	4.617	10	40	HJCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)c1	41083239	DSKCWVBUANWTGT-QZEQKTIESA-N	419.554	4.986	10	40	HJCB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C	59566495	XKTDEXNNXHAHNG-XKZIYDEJSA-N	406.526	4.731	10	40	HJCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C	222883477	FVAJINXIYXKTAB-FGZHOGPDSA-N	405.571	4.575	10	40	HJCB	
COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1C(C)C	409142551	AIQUKTUVFAEZCB-XDHOZWIPSA-N	422.550	4.575	10	40	HJCB	
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21	20704114	CVAFPBDCYCBMGV-SEDUGSJDSA-N	401.806	4.992	10	40	HJCB	
COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O	33666861	MSFKRMZMJOEZQG-DHDCSXOGSA-N	406.872	4.663	10	40	HJCB	
CCOc1ccc(/C=C2/C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)cc1OCC	59861462	NCMRSZSHOWJGDW-SFQUDFHCSA-N	408.454	4.608	10	40	HJCB	
COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	408865120	AZYJUGVLAKGUFM-SXGWCWSVSA-N	419.308	4.703	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccc(OC)c1	409024312	QCKDJDZBSREVJH-WQRHYEAKSA-N	417.383	4.591	10	40	HJCB	
COc1ccccc1N1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC1=S	6849213	AGLNQYUSHWMVFU-OQLLNIDSSA-N	406.872	4.663	10	40	HJCB	
COc1cc2c(cc1NCC(=O)Nc1cc([N+](=O)[O-])ccc1C)oc1ccccc12	11619358	GMXZYVBMKUFCOY-UHFFFAOYSA-N	405.410	4.862	10	40	HJCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C(=O)NC2=S)c1	408761887	HPEWVCMAFQCNAU-QGOAFFKASA-N	420.515	4.571	10	40	HJCB	
COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O	409232682	BHIHUQYTECIZEN-VCHYOVAHSA-N	422.909	4.959	10	40	HJCB	
CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc(O)c(O)c(Cl)c2)cc1	7363625	KMPZCOMFFSUTSG-OAQYLSRUSA-N	410.857	4.921	10	40	HJCB	
COc1ccccc1C1=N/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(C)cc1	408839989	CDGVJSFXKNLBNI-HMMYKYKNSA-N	413.433	4.746	10	40	HJCB	
CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1OC	1297371	QFTMIQQJUYYAGG-LDADJPATSA-N	401.509	4.508	10	40	HJCB	
CC(=O)N1N=C2/C(=C/c3ccc(N(C)C)cc3)CCC[C@@H]2[C@H]1c1ccc(N(C)C)cc1	4663722	FNGUDYDAOXIEBE-HBSZIVNGSA-N	416.569	4.962	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C/c3ccnc4ccccc34)SC2=S)c(OC)c1	9423098	BGLNQCUOAGQLOR-ODLFYWEKSA-N	408.504	4.658	10	40	HJCB	
CCCOC(=O)c1c(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)O)sc2c1CCCC2	2801773	SBKAVKFUPLSCTI-JKSUJKDBSA-N	419.543	4.579	10	40	HJCB	
COc1ccc2ccc(O)c([C@H](c3ccc(C(F)(F)F)cc3)N3CCOCC3)c2c1	25571499	LTCLAVKNXNCOSS-QFIPXVFZSA-N	417.427	4.994	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C	843408	GMSNHQCCOINLRK-XKZIYDEJSA-N	400.438	4.808	10	40	HJCB	
CCOc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)c1C	5487221	IYVWHGYRJFUANE-PSZZWWBBSA-N	421.526	4.522	10	40	HJCB	
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21	6952901	YLSNSJRRUMZAMK-IUUKEHGRSA-N	401.806	4.992	10	40	HJCB	
COc1ccc(/C=C2/SC(=S)N(CNc3cccc(Cl)c3C)C2=O)cc1	14922841	OFKZXJQWNGIPAN-LICLKQGHSA-N	404.944	4.928	10	40	HJCB	
O=C(c1ccco1)N1N=C(c2cccc(Br)c2)C[C@H]1c1ccccc1O	97165267	RFNJLTHLQZWIAK-KRWDZBQOSA-N	411.255	4.739	10	40	HJCB	
COc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc(OC)c1O	100540816	WYMIHHRPYSKPKH-AWNIVKPZSA-N	407.253	4.522	10	40	HJCB	
OCCCNC(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	104376227	MKVOHBZTECNCDO-UHFFFAOYSA-N	412.518	4.758	10	40	HJCB	
CN(C)c1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1	1736965	LJBXFXVMCZMFSM-MHWRWJLKSA-N	419.369	4.921	10	40	HJCB	
CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(C)C3=O)o2)ccc1Cl	409209791	HBYVBJLNIFHOBT-DHDCSXOGSA-N	407.900	4.608	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3OC)SC2=S)cc1	1183792	AQVCBVQXSZBNBK-WQRHYEAKSA-N	401.509	4.508	10	40	HJCB	
CCOC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)cc1O	3639338	WYINEJSMCAIBRH-UHFFFAOYSA-N	413.857	4.697	10	40	HJCB	
CC(C)(C)c1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)cc1	27025161	CZMISBSGBXMXFF-ATVHPVEESA-N	414.527	4.669	10	40	HJCB	
Cc1nccn1Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1	44854846	OIQCVKYVWQRDOP-LJQANCHMSA-N	402.542	4.721	10	40	HJCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)C2=O)cc1Cl	408990738	YKFIVVHCOUGWJG-SDQBBNPISA-N	409.656	4.622	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(C)C	409206601	XYEOASIXAMYZOA-ODLFYWEKSA-N	416.568	4.686	10	40	HJCB	
COc1cc(OC)c(N2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)cc1Cl	2114358	HUDFGCRGYSYJKF-UHFFFAOYSA-N	415.873	4.745	10	40	HJCB	biogenic
Cc1cc(C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)c(C)n1-c1ccccc1	3247518	UNMVGBJDMUVBIN-UHFFFAOYSA-N	400.837	4.682	10	40	HJCB	
Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@@H]2c1ccccn1	10215243	UFBLTLQFLXZCOC-GHTZIAJQSA-N	422.282	4.792	10	40	HJCB	
C[C@H]1CN(C2=NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)S2)C[C@@H](C)O1	13773744	RRYSTCATLXOMHY-RZJAJNODSA-N	402.903	4.680	10	40	HJCB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc21	208221651	SDUXGKGQOMJPCW-DKNZLLBESA-N	407.489	4.641	10	40	HJCB	
COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c2cccnc12	225697358	PBEXFWDGBLQJJH-MRXNPFEDSA-N	406.555	4.891	10	40	HJCB	
CC(C)CN1C(=O)[C@@H](Cc2ccccc2OCc2cccc(F)c2)SC1=S	6326165	YGIAPTYHHNBVCB-LJQANCHMSA-N	403.544	4.832	10	40	HJCB	
COc1ccc(CC(=O)OCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1	6608819	WKWYYVFELTUMBL-OCEACIFDSA-N	403.438	4.835	10	40	HJCB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cccc(OC)c1OC	103919339	OGZUMOHZKBCCQJ-ZHZULCJRSA-N	424.457	4.501	10	40	HJCB	
O=C(C1CCN(Cc2cc(Cl)c3ccccc3c2O)CC1)N1CCCCCC1	8338778	SQUAMDXIQMXEHC-UHFFFAOYSA-N	400.950	4.813	10	40	HJCB	
COc1ccc(CN2C(=O)N=C(O)/C(=C\c3c(Cl)cccc3Cl)C2=O)cc1	8971272	LKGYPZUZOPLRRE-NTEUORMPSA-N	405.237	4.504	10	40	HJCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C\c1ccccc1OC(C)C	409038460	OZTWUKDMIDEKBT-WQLSENKSSA-N	410.342	4.975	10	40	HJCB	
O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	21191553	CRERZSOAFKHOAA-BOPFTXTBSA-N	417.874	4.964	10	40	HJCB	
COc1cc(C2=NN3[C@H](c4cccnc4)Oc4ccc(Cl)cc4[C@H]3C2)ccc1O	245130904	VDSSTGSQJQVVEM-GCJKJVERSA-N	407.857	4.692	10	40	HJCB	
COc1ccccc1/C=C1/N=C(c2ccccc2OC)N(c2ccc(F)cc2)C1=O	408845327	VZRMFNUFACINSI-HMMYKYKNSA-N	402.425	4.677	10	40	HJCB	
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(Cl)c1	5370773	DQKPJCVVBQUIOO-BJXWFGTRSA-N	414.939	4.736	10	40	HJCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(SCc4ccco4)o3)C2=O)cc1	33247984	IHYNCTQDTAHGHO-GZTJUZNOSA-N	408.435	4.980	10	40	HJCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)nc1	222928380	KJXPEPVOKAHCTD-PKTZIBPZSA-N	419.598	4.821	10	40	HJCB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cc2c(cc1Br)OCO2	408977944	ZWWUOWLAKAPOLV-RZNTYIFUSA-N	419.662	4.637	10	40	HJCB	
Cc1ccc(CN2CCC(C(=O)NCc3ccc(N4CCCCC4)cc3)CC2)cc1	44910654	NIWBJJXKQGYMGN-UHFFFAOYSA-N	405.586	4.514	10	40	HJCB	
Cc1ccc(N2C[C@H](C(=O)Nc3ccc(-n4c(C)ccc4C)cc3)CC2=O)cc1C	408707857	MFATXCJZZWUHDH-HXUWFJFHSA-N	401.510	4.703	10	40	HJCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc4[nH]c5ccccc5c4c3)C2=O)c1	408901540	YQONAWRSARZOJU-DEDYPNTBSA-N	409.445	4.604	10	40	HJCB	
COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C\c2ccc(N(C)C)cc2)cc1	18193124	IVTUYCYVJOCPKT-ULJHMMPZSA-N	411.505	4.904	10	40	HJCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1	34713544	OEZJJXQYJSMCIE-UNOMPAQXSA-N	422.843	4.520	10	40	HJCB	
Cc1ccc(SCC2=NN(c3nc4ccccc4s3)C(=O)/C2=C\NC2CC2)cc1	8694924	GITACTWWQOWBIT-ATVHPVEESA-N	420.563	4.736	10	40	HJCB	
COc1ccccc1/C=C1\C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)N=C1O	33414482	URVWHSWBVUMJHG-WQLSENKSSA-N	424.762	4.874	10	40	HJCB	
CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	96193243	PZTFGVMRLGSPCX-UCQKPKSFSA-N	412.445	4.770	10	40	HJCB	
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1	1626227454	JQPXMFKUYNNLBX-LBPRGKRZSA-N	421.444	4.873	10	40	HJCB	
O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc2ccccc12	1868039	IRSZSXIVWIHGML-BOPFTXTBSA-N	410.545	4.741	10	40	HJCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccc(Oc4ccccc4)c3)C2=O)c1	4209101	VTSRVEFOMDGZOE-PXLXIMEGSA-N	412.445	4.762	10	40	HJCB	
COc1ccc(OCCCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1	218741170	ICGIIAVZDGUPPF-WOJBJXKFSA-N	410.558	4.968	10	40	HJCB	
Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(Cl)cc1	409073010	FTKMTWDVOFCOSB-MTJSOVHGSA-N	423.875	4.980	10	40	HJCB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)NC1CCCCC1	1180704	REDNKZXEEWRZLA-GHRIWEEISA-N	423.003	4.770	10	40	HJCB	
O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(F)c1	1217809	PVHKJXWLXGLITH-PTNGSMBKSA-N	406.529	4.507	10	40	HJCB	
CCOC(=O)[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(-c4ccccc4)cc3)S2)C1	4816009	JGSVVUXPLBQXHN-RLKVQFJASA-N	420.534	4.599	10	40	HJCB	
O=C1N=C(O)/C(=C\c2ccc(N3CCCC3)o2)C(=O)N1c1cccc(Cl)c1Cl	59138525	WEEHVNIDUNJAOX-ZRDIBKRKSA-N	420.252	4.693	10	40	HJCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1cc(Cl)ccc1O	409049312	YZJMCTPZTVRHOA-WEVVVXLNSA-N	402.706	4.547	10	40	HJCB	
CC(C)Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)NC(C)C	6977510	RFMOLKIIPHGRTF-UHFFFAOYSA-N	410.381	4.585	10	40	HJCB	
Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(OC(C)C)cc4)S3)CC2)cc1	13810610	QDSXYNZANBKYHW-CJLVFECKSA-N	421.566	4.575	10	40	HJCB	
Cc1cc(C)cc(C2(C(=O)NCc3ccc(N4CCCCC4)cc3)CCOCC2)c1	35317042	XAAFLSVTNSUTFH-UHFFFAOYSA-N	406.570	4.658	10	40	HJCB	
Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(C2CCCCC2)cc1	59109594	OUSZGPWWGWMSPX-UHFFFAOYSA-N	419.525	4.576	10	40	HJCB	
CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1	219564801	AZHXSXMNRYBSOY-UGKGYDQZSA-N	410.558	4.966	10	40	HJCB	
COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1	222831483	ZMHNYJAJLNTLME-GOTSBHOMSA-N	420.582	4.879	10	40	HJCB	
O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S	2700765	BMSIUYNXHXLUPO-GDNBJRDFSA-N	407.900	4.666	10	40	HJCB	
COc1ccc(-c2coc3c(CN4CCCC[C@H]4C)c(O)ccc3c2=O)cc1OC	4062485	ZTIUJVGTIDNYBB-OAHLLOKOSA-N	409.482	4.557	10	40	HJCB	biogenic
O=C1/C(=C/c2ccccc2OCc2ccccn2)SC(=S)N1Cc1ccco1	25351803	IGVIKUYGNAJNFZ-UNOMPAQXSA-N	408.504	4.655	10	40	HJCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C	222972713	AKHJSNJPDWGMRS-DHIUTWEWSA-N	419.598	4.965	10	40	HJCB	
O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)Nc1ccc(F)cc1	924813	DKOJXZKMYWACBN-IBGZPJMESA-N	411.502	4.599	10	40	HJCB	
Cc1cccc(N2C(=O)C(=Cc3cccs3)C(=O)N(c3cccc(C)c3)C2=O)c1	2532808	PIOFXNURDVDERY-UHFFFAOYSA-N	402.475	4.948	10	40	HJCB	
CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	29008836	QFBAFWPZEVPCIC-UHFFFAOYSA-N	422.460	4.929	10	40	HJCB	
CCOc1ccc(N/C=C2\C(=O)N(c3ccc(Br)c(C)c3)N=C2C)cc1	408529093	IHBIBTGOHUJMTJ-PDGQHHTCSA-N	414.303	4.875	10	40	HJCB	
COc1cc(N2N=C(C)/C(=C/Nc3ccc(Cl)cc3[N+](=O)[O-])C2=O)ccc1Cl	408537085	ZBOJTVAODDXLTH-LCYFTJDESA-N	421.240	4.629	10	40	HJCB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	409062391	SXOMCPDPKDFNET-XKZIYDEJSA-N	406.526	4.731	10	40	HJCB	
COc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O	3030807	KAVRQQNOTSCMFQ-XNTDXEJSSA-N	406.326	4.864	10	40	HJCB	
O=C1/C(=C\c2ccccc2)N=C(c2ccc(Br)cc2)N1c1ccc(O)cc1	408839847	AWKDUUSMFQPIQK-XSFVSMFZSA-N	419.278	4.989	10	40	HJCB	
CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1OCC	409340569	ZLVNBAUUDKQJTG-CPNJWEJPSA-N	415.536	4.898	10	40	HJCB	
CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(O)c(OC)c3)SC2=S)cc1	1002927	RSYJHRITYPBQTF-UYRXBGFRSA-N	414.552	4.653	10	40	HJCB	
CC[C@@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=CSC4=NC3=O)c2C)cc1	41076642	XNFGHBGXIYZELD-NRVZWLMHSA-N	405.527	4.857	10	40	HJCB	
COc1cc(C2=NN(C(=O)[C@@H](OC)c3ccccc3)[C@@H](c3cccs3)C2)ccc1O	95946431	XNFQKMJGCXDQLX-GCJKJVERSA-N	422.506	4.528	10	40	HJCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc21	208459656	WTGLVAUNZNPKKY-MTJSOVHGSA-N	419.500	4.859	10	40	HJCB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)o1	1074001	GXMNZIJUBVLMTD-UHFFFAOYSA-N	419.389	4.520	10	40	HJCB	
CC(=O)Nc1cccc(NC(=O)CSc2ncc(-c3ccccc3)n2CC(C)C)c1	7987363	VSUOOVTYJNCZRV-UHFFFAOYSA-N	422.554	4.895	10	40	HJCB	
O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCCCC2)cc1	10113268	RBSPGTJBNHZBPV-UHFFFAOYSA-N	413.370	4.603	10	40	HJCB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(F)cc1	26681006	FYWUAFPPSRBUOT-DEDYPNTBSA-N	422.843	4.520	10	40	HJCB	
CCCOc1ccc(/C=C2\C(=O)N(CC(C)C)C(C)=C2C(=O)OCC)cc1OCC	34688161	VEKZWKXAZDLSBC-UYRXBGFRSA-N	415.530	4.593	10	40	HJCB	
COc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc12	409327391	JJUBOEBOIYGYIJ-KEBDBYFISA-N	421.499	4.983	10	40	HJCB	
CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCCCC2)c1O	1306423	SGIKCUFLVAPASB-UHFFFAOYSA-N	403.482	4.590	10	40	HJCB	
CC1=NN2C(=N)/C(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)C(=O)N=C2S1	5895971	MLVZLFTYRJZRQP-IBERAMNCSA-N	413.506	4.637	10	40	HJCB	
O=C1c2ccccc2C(=O)c2c1cccc2-c1cccc2c1C(=O)c1ccccc1C2=O	12275402	SZKSKYDUWNZBPR-UHFFFAOYSA-N	414.416	4.904	10	40	HJCB	
CC1CCN(c2ccc([C@H](C)NC(=O)c3cccc(CN4CCCC4=O)c3)cc2)CC1	19717174	UOOZRJVEXUZKND-FQEVSTJZSA-N	419.569	4.536	10	40	HJCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)nc1	222621479	CRGHJMMWLMDKPV-SSKFGXFMSA-N	403.555	4.782	10	40	HJCB	
CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S	7813359	LFJCUSUUDNNXSL-DWKHYPNZSA-N	405.472	4.540	10	40	HJCB	
O=C(Oc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2O)cc1)c1ccccc1Cl	9805779	VWQWHMUCHXLLOR-RGEXLXHISA-N	418.836	4.861	10	40	HJCB	
CCCCN1CCc2cc(/C=C3\C(=O)N(Cc4ccccc4)C(=S)N=C3O)ccc21	33372715	WUYCSBMJBGBAAY-HKWRFOASSA-N	419.550	4.516	10	40	HJCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C	34254468	HWNVGLPTIRYPFR-MHHBVAOCSA-N	419.554	4.986	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc(Cl)c1O	58607918	CNNIKMLMMDHGAY-YBEGLDIGSA-N	420.943	4.526	10	40	HJCB	
O=C1O[C@H](C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)Cc2ccccc21	69368171	KUOWFFQKPHECQZ-UKILVPOCSA-N	423.468	4.533	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1	409056395	RDYZTAZELZRJDW-MOSHPQCFSA-N	421.493	4.704	10	40	HJCB	
Cc1ccccc1Nc1cc(N2CCN(C)CC2)c2noc3c2c1C(=O)c1ccccc1-3	2293447	MYJKSXXWQADJQJ-UHFFFAOYSA-N	424.504	4.843	10	40	HJCB	
CC(=O)c1sc(NS(=O)(=O)c2ccc(C(C)C)cc2)nc1-c1ccccc1	12785032	FQDSMZDYJPIKRW-UHFFFAOYSA-N	400.525	4.937	10	40	HJCB	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2O)n2c(nc3ccccc32)N1	14607235	RTYIWOMQHQYRAY-QFIPXVFZSA-N	414.440	4.809	10	40	HJCB	
O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc(Oc2ccccc2)cc1	22532967	FDXIHTJLQQXEQQ-UHFFFAOYSA-N	422.550	4.948	10	40	HJCB	
CCCCCCc1c(C)c2ccc(O)c(CN[C@H](CC(C)C)C(=O)O)c2oc1=O	35686312	OOSUVHAVUXECOP-LJQANCHMSA-N	403.519	4.519	10	40	HJCB	
CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCSc1ccc(C)cc1	101623845	NERVZBUDFCFDPD-HKWRFOASSA-N	422.579	4.983	10	40	HJCB	
Cc1cc(C(=O)OCC(=O)Nc2ccc(F)cc2Cl)c(C)n1-c1ccc(F)cc1	15910659	DSDVEPDCZIMWBG-UHFFFAOYSA-N	418.827	4.821	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc2ccccc12	33741494	BVCOJCBMTPGXPW-STZFKDTASA-N	414.417	4.625	10	40	HJCB	
CCOC(=O)c1c(NC(=O)[C@@]23CC[C@](C)(C(=O)C2)C3(C)C)sc2c1CCCC2	100834597	HFTWIGHJFGNVIX-FGZHOGPDSA-N	403.544	4.528	10	40	HJCB	
COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1	225656084	VUQKVDUCLRIICJ-KRWDZBQOSA-N	411.571	4.757	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(F)cc3)C2=O)c(OC)c1	408753310	LUMOGLKBQHJPGT-FYJGNVAPSA-N	420.415	4.817	10	40	HJCB	
CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCCCCC2)c1O	1241470	CAGZESXMZCPUMT-UHFFFAOYSA-N	417.509	4.980	10	40	HJCB	
CC(C)n1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21	2335806	PPAONIPTQAXLMD-WOJGMQOQSA-N	407.857	4.542	10	40	HJCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)N1CCCCCC1	5370905	ZIIRBBRIZXHSQK-SCFVIABFSA-N	414.596	4.627	10	40	HJCB	
CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1cccc(Cl)c1	19720098	NTXKPMGZICZZCX-YVLHZVERSA-N	405.928	4.807	10	40	HJCB	
Cc1cc(C(=O)[C@H](C)Sc2cccc[n+]2[O-])c(C)n1-c1ccc(OC(F)F)cc1	3348444	NSVPSLPGJSPFCY-HNNXBMFYSA-N	418.465	4.692	10	40	HJCB	
O=C(Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)c1ccco1	13476667	KMIRERAYPUOVDY-QGOAFFKASA-N	407.472	4.905	10	40	HJCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccccc2C)C1=O	16746049	UQFBZBZZZCAKPZ-CAOIWOLBSA-N	408.548	4.781	10	40	HJCB	
COc1ccc(/C=C\C=C2\C(=O)N(c3c(F)c(F)c(C)c(F)c3F)N=C2C)cc1	35305191	XUJDLMVIZGWRIA-AIGAIXFVSA-N	404.363	4.922	10	40	HJCB	
Cc1ccccc1CN1CCC(C(=O)NCc2ccc(N3CCCCC3)cc2)CC1	44910648	HYVMGDFSRHRWSX-UHFFFAOYSA-N	405.586	4.514	10	40	HJCB	
COc1ccc(N2N=C(C)/C(=C(\C)NCCc3c[nH]c4ccc(Cl)cc34)C2=O)cc1	100136006	NPOYPICUWZYPNP-HMAPJEAMSA-N	422.916	4.659	10	40	HJCB	
CCCSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)N1	408989449	KTLMNWDNXWWSAX-NRFANRHFSA-N	408.571	4.809	10	40	HJCB	
CCCOc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1	409038025	ZGOWQFZIBVWRIH-UKTHLTGXSA-N	410.342	4.977	10	40	HJCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1Cl	1235921	JKMSWTOVDSWYPY-VBKFSLOCSA-N	402.928	4.570	10	40	HJCB	
CN(Cc1cnn(-c2ccccc2)c1)C(=O)/C=C/c1ccc(N2CCCCCC2)cc1	8129376	RXZXRGGAIQRZHA-DTQAZKPQSA-N	414.553	4.925	10	40	HJCB	
CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(N(C)C)c([N+](=O)[O-])c1	8384995	YCZVBVRQPUVNJW-RIYZIHGNSA-N	419.268	4.774	10	40	HJCB	
O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1c1ccc(Br)cc1	8828334	BMENYLKNOYJSDN-ZROIWOOFSA-N	416.325	4.731	10	40	HJCB	
N=C1/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SC(C(F)(F)F)=NN12	9057575	PUHQRXJERSQIIE-RNYICVTRSA-N	424.791	4.781	10	40	HJCB	
COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1	222831367	ZMHNYJAJLNTLME-PKTZIBPZSA-N	420.582	4.879	10	40	HJCB	
CN(C)c1ccc(CN(C(=O)c2ccccc2Br)c2ccccn2)cc1	28287880	UAVYQIMEDDEXFL-UHFFFAOYSA-N	410.315	4.757	10	40	HJCB	
CN1C(=O)/C(=C\c2cc(Cl)ccc2OCCOc2ccccc2)SC1=S	6178508	DGTPXZBBXNUARU-SFQUDFHCSA-N	405.928	4.629	10	40	HJCB	
Cc1nccn1Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1	44854999	LHAXKPBVEKCKCT-VQTJNVASSA-N	416.569	4.967	10	40	HJCB	
C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1	218120234	RVMDXPRMBCSOCS-CABCVRRESA-N	401.894	4.976	10	40	HJCB	
COc1ccc2cc(S(=O)(=O)NCc3ccc(N4CCC[C@@H](C)C4)cc3)ccc2c1	223991965	CGZZZPGZGKLVON-GOSISDBHSA-N	424.566	4.563	10	40	HJCB	
COC(=O)c1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1	409338728	PABUUJGEDIDMDZ-MHWRWJLKSA-N	401.534	4.601	10	40	HJCB	
CN(Cc1c(F)cccc1Cl)C(=O)CSc1ncc(-c2ccccc2)n1C	10196810	ZIALBYJNACEOTC-UHFFFAOYSA-N	403.910	4.630	10	40	HJCB	
CC(C)c1ccc(/C=C2\SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc1	12374325	WBTZVADCHBQORU-PDGQHHTCSA-N	403.569	4.887	10	40	HJCB	
CN1CCN([C@H](c2ccc(Cl)cc2)c2cc(Cl)c3cccnc3c2O)CC1	21486951	YOFLBLOFOVCWEK-HXUWFJFHSA-N	402.325	4.584	10	40	HJCB	
C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccc(N(C)C)cc1)c1ccccn1	28288173	GPSMNBSORYAJOO-KRWDZBQOSA-N	409.917	4.802	10	40	HJCB	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1cccc([N+](=O)[O-])c1	100511031	NHZJPKFQCYJGCD-KGNHYALCSA-N	420.454	4.902	10	40	HJCB	
O=C1NC(=S)S/C1=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1	408821180	DGJZHTAXYXUJAS-BASWHVEKSA-N	401.252	4.650	10	40	HJCB	
COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C	222656051	LITNSXAZDJTJMX-LJQANCHMSA-N	416.587	4.588	10	40	HJCB	
O=C1S/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1cccc([N+](=O)[O-])c1	408960502	MMKWSSFHVXDCIU-ZHZULCJRSA-N	423.494	4.822	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)C1	260577897	OFNNXPPQRJGZQO-VQTJNVASSA-N	419.569	4.536	10	40	HJCB	
O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O	2284643	RZLJAUQTZHKGAK-YPKPFQOOSA-N	407.303	4.722	10	40	HJCB	
COC(=O)c1ccc(-n2c(C)cc(-c3csc(NC(=O)c4ccco4)n3)c2C)cc1	9283785	JVLGKAAUWOITLB-UHFFFAOYSA-N	421.478	4.850	10	40	HJCB	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cccc2ccccc12	17091031	ALHNBXYSRWRQPO-HAHDFKILSA-N	417.440	4.631	10	40	HJCB	
Cc1cccc(O[C@H](C)C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)c1C	28288274	GEFWPSPQGBPKPB-HXUWFJFHSA-N	403.526	4.765	10	40	HJCB	
Cc1cc(NC(=S)NCc2ccc(N3CCCC3)cc2)ccc1Br	225423799	FTTFLXJURORJHU-UHFFFAOYSA-N	404.377	4.844	10	40	HJCB	
Cc1cccc(C2=N/C(=C/c3cccn3CCOc3ccc(C)cc3C)C(=O)O2)c1	41108850	XLYYCPAGNDYUTF-CJLVFECKSA-N	400.478	4.837	10	40	HJCB	
COc1cc(-c2c3cnn(C(C)C)c3nc3c2oc2cc(O)ccc23)cc(O)c1O	96114442	RBVHXSLHMQMIPT-UHFFFAOYSA-N	405.410	4.704	10	40	HJCB	biogenic
Cc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)NC1=S	408758882	TXWJTESWIWHLHU-GHRIWEEISA-N	420.515	4.571	10	40	HJCB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCc1ccccc1C	408924312	MRTUGUZUBFMRLX-SXGWCWSVSA-N	405.928	4.725	10	40	HJCB	
COCCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(Cl)cc1	44085845	IXEBMGJRXCKALX-UHFFFAOYSA-N	401.919	4.581	10	40	HJCB	
CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)N2CCCCCC2)cc1	101947495	FRGCOOWEOHINOH-OCOZRVBESA-N	408.502	4.727	10	40	HJCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(OC(C)C)ccc4ccccc34)C2=O)cc1	408803747	SYWYINVZLWKFJJ-KGENOOAVSA-N	414.461	4.602	10	40	HJCB	
CCOC(=O)C1=C(C)N=C(SCc2ccccc2)N[C@@H]1c1ccc(N(C)C)cc1	408986319	BTFHVHGYJGFCQA-OAQYLSRUSA-N	409.555	4.523	10	40	HJCB	
COc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(Br)c2)cc1	3672681	KKWBWWYIIIQTDU-UHFFFAOYSA-N	400.272	4.933	10	40	HJCB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc21	208221358	FIXAGHFZGYAHAL-GEYIUBJWSA-N	407.489	4.641	10	40	HJCB	
COC(=O)c1ccc(C)c(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1	225690747	IOZXAPKQHOKUNB-MRXNPFEDSA-N	411.571	4.505	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccc(Cn4ccnc4)cc3)cc2)C1	260800692	UUEOXWCPHNIRAG-PMACEKPBSA-N	402.542	4.659	10	40	HJCB	
Oc1ccccc1[C@@H]1N=C2SC(c3ccccc3)=NN2C(=S)N1c1ccccc1	408721428	HLORVLPFQYOJQP-LJQANCHMSA-N	416.531	4.963	10	40	HJCB	
Cc1cc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1	6329795	IIBVZLJPGZCIOM-UHFFFAOYSA-N	416.399	4.908	10	40	HJCB	
COc1ccc(CCN2C(=O)/C(=C\c3ccc4ncccc4c3)SC2=S)cc1	9419642	WLLDFMHTNQSWEY-XSFVSMFZSA-N	406.532	4.687	10	40	HJCB	
Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1F	225606245	DXIJTEVXFNWYIV-UHFFFAOYSA-N	403.862	4.819	10	40	HJCB	
Oc1ccc(C2=NN3[C@H](c4ccncc4)Oc4ccc(Br)cc4[C@H]3C2)cc1	102907386	ZXVUDMVDHUMYDO-CTNGQTDRSA-N	422.282	4.792	10	40	HJCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1	222927983	ZKLWKHJYSKESQZ-GOTSBHOMSA-N	419.598	4.821	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1OC	409016014	AKOKQWCMTBPJIH-BOPFTXTBSA-N	417.383	4.591	10	40	HJCB	
Cc1c(O)c(CN(C)C[C@@H]2CCCN3CCCC[C@@H]23)cc2c1oc(=O)c1ccccc12	1565519825	IUHFXUKQOWDGLR-MBSDFSHPSA-N	420.553	4.657	10	40	HJCB	biogenic
Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1	1626227453	JQPXMFKUYNNLBX-GFCCVEGCSA-N	421.444	4.873	10	40	HJCB	
Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(Br)cc1	924729	AVQVKSVOMNFQPT-UHFFFAOYSA-N	402.317	4.580	10	40	HJCB	
CCOc1ccc(O)c([C@@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2OC)c1	12645839	HMTMWXKJBFIERG-HSZRJFAPSA-N	420.465	4.579	10	40	HJCB	
N=C1/C(=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N=C2SC=CN12	20032225	PFWGHWWHOLCXQL-WUVMMTAUSA-N	413.861	4.835	10	40	HJCB	
COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c(C)c1C	260772748	WGDKZHRLAFKSKQ-QFBILLFUSA-N	416.587	4.588	10	40	HJCB	
COc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccc(O)cc2)cc1	408759737	KNXDAWVVXJKVIH-KGENOOAVSA-N	404.853	4.889	10	40	HJCB	
CCOc1c(Cl)cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1Cl	409078114	HRAMMTDYSMJRBS-KSSSLANASA-N	418.367	4.772	10	40	HJCB	
O=C1/C(=C/c2ccc3nccnc3c2)SC(=S)N1c1ccc(F)c(Cl)c1	54361148	WSLIDOPCKUAWOT-PXNMLYILSA-N	401.875	4.828	10	40	HJCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(CC)CC)cc3)C2=O)cc1	2215459	OTCLIHGIDCLIND-JMMZKRSASA-N	419.525	4.713	10	40	HJCB	
CC(C)(C)c1ccc(OC(=O)c2ccc3c(c2O)C(=O)c2ccccc2C3=O)cc1	4891443	WMIADJGQTICWHB-UHFFFAOYSA-N	400.430	4.684	10	40	HJCB	
CCN(CC)c1ccc(N2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)cc1	8653692	GEFMNLSCWULCEN-AQTBWJFISA-N	408.552	4.815	10	40	HJCB	aggregator
Cc1cc2c(N)c(C(=O)OCC(=O)c3ccccc3)sc2nc1-c1ccccc1	13575521	PSGORHALKCSGRX-UHFFFAOYSA-N	402.475	4.894	10	40	HJCB	
CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)N=C2S1	80346764	SZHLAOABIKPPAK-BPHBXOPHSA-N	405.527	4.740	10	40	HJCB	
Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccc(F)cc3)C1=O)[C@H](C)CC(C)(C)N2C	208223844	CNEDSQMXHGEUMT-YQODDJSKSA-N	421.516	4.949	10	40	HJCB	
COC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(OC)cc3)C=C2c2ccccc2)c1	713838	UIVXIMKDWUUMIH-RCCKNPSSSA-N	411.457	4.953	10	40	HJCB	
O=C(c1ccco1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1O	4292045	XKJPDTRBRSOALK-KRWDZBQOSA-N	411.255	4.739	10	40	HJCB	
COc1ccc(CCN2C(=O)/C(=C\c3c[nH]c4cc(OC)ccc34)SC2=S)cc1	13654773	RRPKRJIRAMYNRI-RGVLZGJSSA-N	424.547	4.629	10	40	HJCB	
Oc1c([C@@H](Nc2ccc(Br)cn2)c2cccnc2)ccc2cccnc12	46085527	AGXNZFPEWQEYRX-SFHVURJKSA-N	407.271	4.694	10	40	HJCB	
CCCOc1c(Cl)cc(C(=O)NC(C)(C)c2ccc(OC)cc2O)cc1OC	95451308	LROWRYUUNDFNFV-UHFFFAOYSA-N	407.894	4.517	10	40	HJCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N(CC)CC)cc3OC)N21	222688075	BOBGOBLAKBPYCO-URZJWIJPSA-N	410.587	4.916	10	40	HJCB	
Cc1ccc(C2=NN[C@H](c3cc(Br)cc(Br)c3O)C2)cc1	5546097	BTBGYDXXJQUSMY-HNNXBMFYSA-N	410.109	4.664	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(Cn4ccnc4)cc3)cc2)C1	44854997	UUEOXWCPHNIRAG-VQTJNVASSA-N	402.542	4.659	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(F)cc3)C2=O)cc1OC	408759929	OIJZLDYIZNYFBI-XSFVSMFZSA-N	402.425	4.677	10	40	HJCB	
COc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)cc2)cc1	408765574	MJFZVXZMYVPMJI-PXLXIMEGSA-N	413.433	4.746	10	40	HJCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C\c3cccn3Cc3ccccc3F)C2=O)cc1	2235332	RRQRJMUZVMSXDY-XSFVSMFZSA-N	417.440	4.745	10	40	HJCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222928123	SOXXLJKZMAJXNW-YADHBBJMSA-N	419.598	4.821	10	40	HJCB	
CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)NCCC(=O)O)cc3[C@H]3C=CC[C@@H]32)cc1	4623604	UTOVQTGYUDRRIQ-SKPFHBQLSA-N	404.510	4.841	10	40	HJCB	
CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)S1	5851000	CPYOUKIEOGIQNJ-FYJGNVAPSA-N	402.475	4.525	10	40	HJCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1O	8820487	QCJHSIISNWLTRT-JXLMVQBASA-N	424.547	4.569	10	40	HJCB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2)c1O	19797683	UZVZXLCTIAXWSE-XKZIYDEJSA-N	400.482	4.618	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccc(F)cc2)cc1	408759802	LXSGTUKDPCKFQO-XQNSMLJCSA-N	415.468	4.735	10	40	HJCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1C	408851064	VNTZWWIYMZLPJP-XDHOZWIPSA-N	420.852	4.883	10	40	HJCB	
O=C1S/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1	106739436	IERXFWCBFUGGRN-ZHZULCJRSA-N	423.494	4.822	10	40	HJCB	
COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OC	217924525	GPAJYRRBBQWZKG-IPVAERDFSA-N	408.542	4.831	10	40	HJCB	
CCOC(=O)c1ccc(NC(=S)NCCN(CC)c2ccc(C)cc2)cc1Cl	225794053	HCTVLZRBKFPCSA-UHFFFAOYSA-N	419.978	4.638	10	40	HJCB	
O=C1/C(=C/c2ccccc2OCc2ccccc2)SC(=S)N1C[C@@H]1CCCO1	409082797	SWKAFHNFFPEBMY-YNGKYYQNSA-N	411.548	4.646	10	40	HJCB	
Nc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1	7468371	GVPJOALRGZKDLQ-UHFFFAOYSA-N	410.271	4.536	10	40	HJCB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(F)cc3)C2=O)cc1	13799083	SLHQSYSOZHFVEN-AQTBWJFISA-N	414.527	4.754	10	40	HJCB	
COc1cccc(/C=C2\SC(Nc3ccc(C)cc3C)=NC2=O)c1OC(F)F	15349866	FJABQVNPNVAQET-YBEGLDIGSA-N	404.438	4.996	10	40	HJCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1C	34700861	AVHYYHOKSTZWCX-UYRXBGFRSA-N	405.885	4.517	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccc(F)cc2)cc1	408752710	GGYZEMBVJTVBOO-RCCKNPSSSA-N	402.425	4.677	10	40	HJCB	
N=C1/C(=C/c2cccn2Cc2ccccc2)C(=O)N=C2SC(C3CCCCC3)=NN12	30738268	MNXFVHSTNKPKJR-FBIWUZAXSA-N	417.538	4.736	10	40	HJCB	
CCc1cc(C)cc(OCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)c1	32109501	AMWSIAOLYPSAII-ZHZULCJRSA-N	413.564	4.846	10	40	HJCB	
CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1Br	34897920	UMQUKJDDJCZLFK-AHEVQNHNSA-N	400.363	4.848	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	100233098	QQYVUXQVKLKJKP-PXLXIMEGSA-N	413.433	4.980	10	40	HJCB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1	218757516	GGZAJRXUMAKNNO-YADARESESA-N	410.558	4.966	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1	408893850	NSHYBQVJWHHZCD-YBEGLDIGSA-N	418.276	4.879	10	40	HJCB	
Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c(C)c1	1217264	FWTVEMKFYRYQHG-ATVHPVEESA-N	416.593	4.985	10	40	HJCB	
COc1ccc(CCN2C(=O)/C(=C/c3c[nH]c4ccc(OC)cc34)SC2=S)cc1	8991435	RQRJTBIJJIMAGW-JAIQZWGSSA-N	424.547	4.629	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc4ncccc4c3)SC2=S)c(OC)c1	9419661	HTDQHQSRLMRJHD-YBFXNURJSA-N	408.504	4.658	10	40	HJCB	
CC(=O)NC1=NC(=O)/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)S1	409026610	UMKIPUVSELAKEE-BKUYFWCQSA-N	402.475	4.525	10	40	HJCB	
COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O	409127438	CQPWNASUJYRFPT-KGENOOAVSA-N	406.507	4.930	10	40	HJCB	
COc1cccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c1	409348103	RCSISXLLYNTLIO-XNTDXEJSSA-N	406.326	4.864	10	40	HJCB	
Cc1cc(/C=C2\C(=O)NC(=S)N=C2O)c(C)n1-c1ccc(-c2ccccc2)cc1	2306459	UJRIACJEVGXROO-UHFFFAOYSA-N	401.491	4.516	10	40	HJCB	
CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1	4167821	FZHAUBBBSXPFNT-UHFFFAOYSA-N	406.467	4.685	10	40	HJCB	
Oc1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1O[C@@H]2c1ccccn1	10215245	UFBLTLQFLXZCOC-WIYYLYMNSA-N	422.282	4.792	10	40	HJCB	
Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccccc3F)C1=O)[C@@H](C)CC(C)(C)N2C	208223971	LLINNOFWCBDJSK-IXGURIBZSA-N	421.516	4.949	10	40	HJCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OCC)C2=O)ccc1O	1248153	SDGJTAPABNULBK-PDGQHHTCSA-N	401.509	4.595	10	40	HJCB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(Cl)cc2)c1O	4714479	MPFQOUDRUWWIJM-UNOMPAQXSA-N	406.873	4.654	10	40	HJCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C	5487754	JYWOOLISAYOZGL-ODJOWLHGSA-N	419.554	4.932	10	40	HJCB	
CCCn1cc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)c2ccccc21	33332544	CHEMOPOZBWYKFE-UYRXBGFRSA-N	403.438	4.567	10	40	HJCB	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1	102265865	SRDKXFHMUCLYFK-POHAHGRESA-N	400.605	4.954	10	40	HJCB	
COc1cccc(/C=C2/SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)c1OC	1248545	NFKVJTJHHAOUEF-LTGZKZEYSA-N	422.550	4.629	10	40	HJCB	
CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	4147429	OSLSAAFFYVREEX-UHFFFAOYSA-N	419.502	4.605	10	40	HJCB	
CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N=C2S1	80346760	QUJZWCHHVADVHM-BPHBXOPHSA-N	405.527	4.740	10	40	HJCB	
O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1c1cccc(Cl)c1	208639836	VVFQQEWQBUDLKT-PDGQHHTCSA-N	416.955	4.582	10	40	HJCB	
CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1	219565197	ZDCPZWKXUVZTAL-WOIUINJBSA-N	410.558	4.966	10	40	HJCB	
Cc1ccc(-c2nc(-c3cc(C)n(-c4ccc(S(N)(=O)=O)cc4)c3C)cs2)cc1	13069649	YZJPKAOXIJBZNR-UHFFFAOYSA-N	423.563	4.840	10	40	HJCB	
CC1CCN(c2ccc([C@@H](C)NC(=O)c3cccc(CN4CCCC4=O)c3)cc2)CC1	19717173	UOOZRJVEXUZKND-HXUWFJFHSA-N	419.569	4.536	10	40	HJCB	
COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)C1CCCCC1	20744654	DVZYQFHJHNYIDM-UHFFFAOYSA-N	418.541	4.974	10	40	HJCB	
CCCn1cc(/C=C2/C(=O)N=C(S)N(CCC3=CCCCC3)C2=O)c2ccccc21	103117278	SXXIOXGIOMXHHD-HKWRFOASSA-N	421.566	4.980	10	40	HJCB	
CCOc1ccc(OCC)c(NC(=O)CSc2ncc(-c3ccccc3)n2C)c1	880751	OBAQTLRPTOAMSI-UHFFFAOYSA-N	411.527	4.615	10	40	HJCB	
O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccccc1	1011249	WYWDRFMNUDLMGU-VBKFSLOCSA-N	402.928	4.570	10	40	HJCB	
CC(C)(C)c1ccc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1	2319375	PYSPRNFNCXZISZ-HEHNFIMWSA-N	405.567	4.777	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4OC)c3C)C(=O)N=C2S1	6417545	PMDVQFUFCDGRGM-NTCRLEKGSA-N	421.526	4.522	10	40	HJCB	
O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1CNc1cccc(F)c1	3127076	VTLPOCDDNUEKKP-NVNXTCNLSA-N	423.332	4.859	10	40	HJCB	
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)C1	219231329	OFNNXPPQRJGZQO-WOJBJXKFSA-N	419.569	4.536	10	40	HJCB	
O=C1NN(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1	669302	BRKPIYXJDNCOEP-XNTDXEJSSA-N	417.223	4.854	10	40	HJCB	
COc1ccc(OC)c(-c2cc3ccc(O)c(CN4CCCC[C@H]4C)c3oc2=O)c1	4088849	IGQBPBAPWVLAJU-OAHLLOKOSA-N	409.482	4.557	10	40	HJCB	biogenic
C/C(NC1CCCCC1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	17082860	FRAGSNHANZJMEI-PGMHBOJBSA-N	404.470	4.542	10	40	HJCB	
O=S(=O)(O)c1ccc(/N=N\c2c(O)ccc3cc(Br)ccc23)cc1	17300321	GCWVGAVDJVCURG-HNENSFHCSA-N	407.245	4.970	10	40	HJCB	
O=C1N=C(N2CC[C@@H](c3ccccc3)C2)S/C1=C\c1ccc(Br)cc1	651748	GVAAQBMVBDQQQO-UWCCDQBKSA-N	413.340	4.909	10	40	HJCB	
CCOc1ccccc1N1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S	1245278	FBOAYRVSNQUUPH-WQRHYEAKSA-N	401.509	4.508	10	40	HJCB	
COc1cc(/C=C2\SC(N3CCC[C@H](C)C3)=NC2=O)ccc1OCc1ccccc1	13547390	BJFNADQCEKPWOM-CPEHUTGBSA-N	422.550	4.976	10	40	HJCB	
COc1ccc(N/C(C)=C2\C(=O)N(c3ccc(OC)cc3)N=C2c2ccccc2)cc1	17089561	JHVLYGZIEBISMS-QJOMJCCJSA-N	413.477	4.841	10	40	HJCB	
COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(Br)c1OC	33343225	IJMDOAYEENUADT-OVCLIPMQSA-N	401.256	4.756	10	40	HJCB	
CC(/C=C1\SC(N2CCN(c3ccccc3F)CC2)=NC1=O)=C\c1ccccc1	5373161	CWQCRXRMINGBQT-AMQBKCJUSA-N	407.514	4.565	10	40	HJCB	
Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)c1	9525798	SLKSFDKFOFUSAR-UHFFFAOYSA-N	416.399	4.908	10	40	HJCB	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1	35041431	MSDMRQQVLPGBGV-WOJGMQOQSA-N	401.509	4.508	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)=O	409338385	IXFWNQAZFVOUSD-LICLKQGHSA-N	419.911	4.680	10	40	HJCB	
CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1ccccc1I	9334968	FUKDQSYFKHNCIF-KAMYIIQDSA-N	419.291	4.811	10	40	HJCB	
N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2SC(SCc3ccccc3)=NN12	13749154	GGAWBYAQTKEVRA-OXMFYWCOSA-N	417.519	4.678	10	40	HJCB	
COc1cc(/C=C2/SC(NC3CCCC3)=NC2=O)ccc1OCc1ccccc1	97990764	RHNYVMONXXZVOP-KGENOOAVSA-N	408.523	4.777	10	40	HJCB	
CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1Br	106680219	ALPXARHIXBTYNY-BOPFTXTBSA-N	417.328	4.752	10	40	HJCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C	222621188	RLBWTCVAASVFEX-NDXORKPFSA-N	403.555	4.782	10	40	HJCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)nc1	222621282	CRGHJMMWLMDKPV-KNXBSLHKSA-N	403.555	4.782	10	40	HJCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C	222972796	NMZICGJSIYTZSE-VXKWHMMOSA-N	419.598	4.965	10	40	HJCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(C(C)C)C3=O)c2C)c1	4107022	ZHYVGXGGXOBUMF-UNOMPAQXSA-N	412.511	4.716	10	40	HJCB	
CC(=O)N1N=C2/C(=C/c3ccc(N(C)C)cc3)CCC[C@H]2[C@H]1c1ccc(N(C)C)cc1	4663720	FNGUDYDAOXIEBE-GGPYAICQSA-N	416.569	4.962	10	40	HJCB	
COc1cc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccn2)ccc1O	10215510	XNJWUZYLGPHULD-PGRDOPGGSA-N	407.857	4.692	10	40	HJCB	
Cn1cc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)N=C2O)c2ccccc21	13773960	BGEJYZIQHPWCGY-SXGWCWSVSA-N	413.355	4.704	10	40	HJCB	
Oc1ccccc1C1=NN2[C@H](c3ccncc3)Oc3ccc(Br)cc3[C@H]2C1	102005934	INSFHKDIONCDKT-NQIIRXRSSA-N	422.282	4.792	10	40	HJCB	
C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	5528789	CVPKOEPKUJWFCJ-CYBMUJFWSA-N	405.837	4.521	10	40	HJCB	
O=C1/C(=C/c2cc3c(cc2Br)OCO3)SC(=S)N1c1ccccc1	33326278	XQQAGGDSSMCITN-CHHVJCJISA-N	420.309	4.584	10	40	HJCB	
Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1	408707684	LSRYSVOVUGFWDG-KRWDZBQOSA-N	407.901	4.739	10	40	HJCB	
O=C(O)c1ccccc1[C@@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@@H]21	409165028	RESDWLSAMPAKRK-ZJNRKIDTSA-N	417.246	4.816	10	40	HJCB	
COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(c2ccc(C)cc2C)C1=O	2304394	IMSFLRWWKHBJGI-GRSHGNNSSA-N	415.536	4.735	10	40	HJCB	
CN(C)c1ccc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)cc1	13547708	NMTMMIATJQBBES-XLNRJJMWSA-N	405.567	4.678	10	40	HJCB	
CCc1cccc(C)c1Nc1nnc(SCC(=O)c2ccc(O)c(O)c2)s1	16328115	MZTXDFRJJNLEPD-UHFFFAOYSA-N	401.513	4.539	10	40	HJCB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl	107966952	OPKCZLGFMXILBR-CDCQXCROSA-N	405.281	4.632	10	40	HJCB	
Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1	408706693	CIVCYEBFTURDDQ-KRWDZBQOSA-N	407.901	4.739	10	40	HJCB	
O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	408770374	WTGBUTXJIONCEW-UHFFFAOYSA-N	417.801	4.652	10	40	HJCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(S)=NC2=O)c1	1264332	NRESSVVTNUUTKD-PDGQHHTCSA-N	407.520	4.838	10	40	HJCB	
O=C1/C(=C/c2ccccc2)SC(=S)N1CNc1ccc(Br)cc1	3020422	IMCAQVCRVJHJOS-GDNBJRDFSA-N	405.342	4.720	10	40	HJCB	
COc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CC2CCCCC2)C1=O	409148088	XCVQZXWGFJRJPW-DEDYPNTBSA-N	400.544	4.912	10	40	HJCB	
Cc1ccc(OCc2nc(C)c(C(=O)N(C)Cc3ccc(N(C)C)cc3)s2)cc1	12634729	NDVKPQLKFXQNGJ-UHFFFAOYSA-N	409.555	4.677	10	40	HJCB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1ccc2nc(C)[nH]c2c1	20036793	MTINYVBCOFVANO-YBEGLDIGSA-N	424.302	4.661	10	40	HJCB	
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(Cn4ccnc4)cc3)cc2)C1	44854996	UUEOXWCPHNIRAG-WOJBJXKFSA-N	402.542	4.659	10	40	HJCB	
CC(/C=C1\SC(=S)N(CC(=O)Nc2ccccc2C)C1=O)=C\c1ccccc1	1268728	UQFBZBZZZCAKPZ-JGEPBQDUSA-N	408.548	4.781	10	40	HJCB	
COc1ccc(/C=C/C=C2\C(=O)N(c3c(F)c(F)c(C)c(F)c3F)N=C2C)cc1	5697006	XUJDLMVIZGWRIA-BETQINKTSA-N	404.363	4.922	10	40	HJCB	
COc1cccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1OC	13713099	HLWJHRIWGHXJII-NVNXTCNLSA-N	409.891	4.902	10	40	HJCB	
CCN(CC)C(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	22009197	ZRZLMIKOSOUIOO-UHFFFAOYSA-N	419.525	4.837	10	40	HJCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2F)c1	408757593	ANQWIPOTEXOXEQ-KGENOOAVSA-N	401.397	4.877	10	40	HJCB	
Cc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)c(C)n1-c1ccc(F)c(Cl)c1	408766558	CWYIUFDVGPCOEL-UHFFFAOYSA-N	403.837	4.640	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(C4CCCCC4)c3C)C(=O)NC2=S)cc1	4503126	JUTAAMKKSYKGBX-STZFKDTASA-N	421.566	4.750	10	40	HJCB	
C[C@@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3nc4ccccc4s3)c(N)oc12	13496648	CHUMOEDFCLOHDH-CYBMUJFWSA-N	421.522	4.732	10	40	HJCB	biogenic
CCc1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1	35041375	PJOLVJFSOUWUFN-XSFVSMFZSA-N	413.564	4.710	10	40	HJCB	
C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCc1nc(-c2ccco2)no1	95465442	MAZAVEJKXVEAEE-QGZVFWFLSA-N	417.465	4.758	10	40	HJCB	
CCCn1cc(/C=C2\C(=O)N(c3cccc(OC)c3)C(=O)N=C2O)c2ccccc21	33330230	QSZPQMVBWYDDCQ-UNOMPAQXSA-N	403.438	4.567	10	40	HJCB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cc(OC)ccc1OC	112290979	LZWXTHWOWRFVJD-STZFKDTASA-N	424.457	4.501	10	40	HJCB	
COc1ccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2ccc(C)cc2)cc1	408767430	XKXMKKJYVCTVHK-PXLXIMEGSA-N	412.445	4.536	10	40	HJCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(N(CC)CC)cc3OC)S2)cc1	408780823	LMYMXPHNOKVWCY-LJJBLSSYSA-N	411.571	4.703	10	40	HJCB	
Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1-c1ccc(Cl)c(Cl)c1	3351426	BCBBOVKMFKWNOS-UHFFFAOYSA-N	413.355	4.810	10	40	HJCB	
CC[C@@H]1CCCCN1C(=O)CN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S	5370993	MNSOCRABMLTMEK-GNYOSYSBSA-N	414.596	4.625	10	40	HJCB	
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C2=O)cc1	9075913	WJNBAZUTAPAPDG-RGEXLXHISA-N	418.474	4.660	10	40	HJCB	
CCOC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2C)cc1	17092247	CIFGFRSIMKEABM-UYRXBGFRSA-N	420.494	4.582	10	40	HJCB	
O=c1oc2c3c(ccc2c2c1CCCC2)OCN(c1ccc(OC(F)(F)F)cc1)C3	20933964	LJBYKQYRKOPYHE-UHFFFAOYSA-N	417.383	4.927	10	40	HJCB	
CCc1ccc(N2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1	33795039	FVMKSXNVZJANMH-LDADJPATSA-N	415.536	4.681	10	40	HJCB	
COc1ccc2cc(S(=O)(=O)Nc3ccccc3C(=O)c3ccccc3)ccc2c1	223650955	DZNTVBNIFMRAOQ-UHFFFAOYSA-N	417.486	4.880	10	40	HJCB	
COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1	260735152	FTWQYVICJBICGY-DLBZAZTESA-N	411.571	4.757	10	40	HJCB	
Cc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)c1	408850335	LPFNVCCNFLPJJH-NTEUORMPSA-N	419.333	4.750	10	40	HJCB	
O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1CNc1ccc([N+](=O)[O-])cc1	2049236283	AYOGDHXPEDKTAH-UHFFFAOYSA-N	405.888	4.519	10	40	HJCB	
CCCCc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)SC2=S)cc1	5552108	MKUKURWZVGHLNL-ZCXUNETKSA-N	412.511	4.896	10	40	HJCB	
CCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(N(CC)CC)cc3)nc2c1	6592711	IBCUKGJWIGMXDT-UHFFFAOYSA-N	410.543	4.954	10	40	HJCB	
C[C@H](Nc1ccc(F)c(Cl)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	14356659	CGGJOIVVLCAGCW-LBPRGKRZSA-N	422.843	4.694	10	40	HJCB	
CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccc(Cn4ccnc4)cc3)cc2)CC1	44854094	GEQCDKNBQFMBDI-HXUWFJFHSA-N	402.542	4.659	10	40	HJCB	
Oc1c(F)cccc1CN1CCOCCOc2ccccc2Cc2cccc(c2)C1	643562255	NRRLTRVSTZDOLA-UHFFFAOYSA-N	407.485	4.533	10	40	HJCB	
COc1ccc(N2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1	9527732	PWGKOPJOKIXDOX-UHFFFAOYSA-N	420.513	4.833	10	40	HJCB	
Cc1cc(C(=O)COc2ccc(CC(=O)O)cc2)c(C)n1-c1ccc(F)c(Cl)c1	12634090	UQRISZDXYJZFNP-UHFFFAOYSA-N	415.848	4.775	10	40	HJCB	
C/C(NCc1cccs1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	100095468	DLPHJARRRDPCGP-GXDHUFHOSA-N	422.457	4.687	10	40	HJCB	
CCCOC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)sc2c1CCCC2	2801774	SBKAVKFUPLSCTI-HZPDHXFCSA-N	419.543	4.579	10	40	HJCB	
Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1	58850454	VORFWPIPKGNBFF-UHFFFAOYSA-N	405.317	4.657	10	40	HJCB	
CCOC(=O)c1cccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1C	225417710	VCOZNVRTNFFHCC-UHFFFAOYSA-N	411.571	4.649	10	40	HJCB	
C[C@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(N2CCCCC2)cc1	225666289	XOXCZLCXWNRZMO-SFHVURJKSA-N	422.598	4.851	10	40	HJCB	
Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)cc1	660547	FTYUGIVMSAORER-LPYMAVHISA-N	403.457	4.635	10	40	HJCB	
O=C1c2ccccc2C(=O)c2c1c(C(=O)Nc1ccc(Cl)cc1)c1ccccn21	810833	DEBCGOYLAVTZMJ-UHFFFAOYSA-N	400.821	4.620	10	40	HJCB	
COc1ccc(C2(C(=O)N[C@H](C)c3ccc(N4CCCCC4)cc3)CCOCC2)cc1	19661479	JHTMCDLIWRPUSL-HXUWFJFHSA-N	422.569	4.611	10	40	HJCB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1	59435659	NKNYPYNWCFQGLQ-YBEGLDIGSA-N	402.277	4.866	10	40	HJCB	
O=C(O)c1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1	1461974	OEADRPRJNCGXTH-RLFYNMQTSA-N	417.246	4.816	10	40	HJCB	
COc1ccc(C(=O)Oc2ccccc2/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1	5205396	YSNRFCCFAXHGBJ-CJLVFECKSA-N	412.445	4.721	10	40	HJCB	
O=C(O)CCc1ccc(-c2ccccc2)n1CC(=O)Nc1ccccc1C(F)(F)F	8612591	NFTRNOMDZLWOQJ-UHFFFAOYSA-N	416.399	4.830	10	40	HJCB	
CC(=O)c1cccc(N/C=C2\C(=O)N(c3ccc(Br)cc3C)N=C2C)c1	408532285	MGTPQDIRSRXBAC-WQRHYEAKSA-N	412.287	4.679	10	40	HJCB	
O=C1NC(=S)S/C1=C\c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12	409339757	XVOWQDRTLWOVJI-AUWJEWJLSA-N	417.874	4.703	10	40	HJCB	
O=C(NCc1ccc(N2CCCC2)cc1)c1sc2ncccc2c1-n1cccc1	33298008	IEBYFXSTCGPTSS-UHFFFAOYSA-N	402.523	4.617	10	40	HJCB	
COc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccc2C)C(=S)N=C1O	83318990	SNENMTYTJZGXLC-AQTBWJFISA-N	402.475	4.828	10	40	HJCB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1	218757654	GGZAJRXUMAKNNO-DVECYGJZSA-N	410.558	4.966	10	40	HJCB	
COc1cc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccnc2)ccc1O	245130903	VDSSTGSQJQVVEM-AVRDEDQJSA-N	407.857	4.692	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(Br)c1	408893897	ODPKKKKAXQVHEK-PDGQHHTCSA-N	412.283	4.635	10	40	HJCB	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1cccc(Br)c1	1193284	UJNWVXIFQLUVLY-RIYZIHGNSA-N	421.297	4.763	10	40	HJCB	
CCCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)ccc1Cl	5027518	ZWVRQKCTVZQGFV-DHDCSXOGSA-N	407.900	4.656	10	40	HJCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1	222988430	GRZMJXVVOOOQPW-DHIUTWEWSA-N	420.582	4.962	10	40	HJCB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccc1	2278927	FFWQRTPAHGJFSO-LGMDPLHJSA-N	416.955	4.960	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccccc3OC)C2=O)c(OC)c1	5513225	QTBKBSYYOZXCLM-HMMYKYKNSA-N	414.461	4.547	10	40	HJCB	
CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1	5516387	SANAFURVIHPZML-TWGBNTOESA-N	411.918	4.695	10	40	HJCB	
C[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCC[C@@H](C)C2)cc1	225669435	ICOMZXZUWOESNX-SJORKVTESA-N	411.571	4.742	10	40	HJCB	
CN(C)c1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)cc1	1329046	ZQTMDVGHEVVMLJ-UHFFFAOYSA-N	400.935	4.537	10	40	HJCB	
CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(SC)cc1	14415091	ZMSFJVHFVKQMLO-PGMHBOJBSA-N	407.535	4.714	10	40	HJCB	
COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CC[C@H](C(C)(C)C)C2	4614196	BQUYVTSRZJNFJW-MJBXVCDLSA-N	421.559	4.515	10	40	HJCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1cccc(Cl)c1	8765621	YXNKOTQVROIJHZ-YBEGLDIGSA-N	420.918	4.709	10	40	HJCB	
CCOc1cccc(CNCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc23)c1O	19848724	WFCHEVYYVMSHAF-UHFFFAOYSA-N	408.420	4.812	10	40	HJCB	
CCN(CC)c1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1	59417972	FNKSZWYYDFVVFX-PDGQHHTCSA-N	413.524	4.847	10	40	HJCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccccc4)o3)C2=O)cc1C	408756150	UEHBAIBLQKHPEM-CPNJWEJPSA-N	418.474	4.714	10	40	HJCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1O	222830799	WZVBTTXSDJRTDR-FGZHOGPDSA-N	406.555	4.576	10	40	HJCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C	222966415	UAPMDUOAHPRUHK-XZOQPEGZSA-N	420.582	4.967	10	40	HJCB	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1	408765955	SCZOUEXBFIRVEF-SFQUDFHCSA-N	424.865	4.751	10	40	HJCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc21	208459568	IHXJLUAOMOTLKB-MTJSOVHGSA-N	419.500	4.859	10	40	HJCB	
Cc1cc(CN(C)C(=O)c2ccc3c(c2)nc(Cl)n3C)c(C)n1-c1ccccc1	222563379	FTFGXVZAEGMCCH-UHFFFAOYSA-N	406.917	4.906	10	40	HJCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C	222882980	GRGKACBDNWXZPM-FGZHOGPDSA-N	405.571	4.575	10	40	HJCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)S2)cc1	408771012	CBEIVCYLJQORRZ-YMSBRDKKSA-N	419.550	4.962	10	40	HJCB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(C(=O)N2CCCCC2)cc1	5601830	OZARXSYQMZWBHW-KQWNVCNZSA-N	416.525	4.648	10	40	HJCB	
CC(/C=C1\SC(=S)N(CCC(=O)Nc2ccccc2O)C1=O)=C\c1ccccc1	9030155	UQCPZUBZIDZRIH-FQHLDWHWSA-N	424.547	4.569	10	40	HJCB	
O=C1/C(=C\c2ccccc2I)SC(=S)N1c1ccccc1	17163335	XJLRMEUSBNKTSR-GXDHUFHOSA-N	423.300	4.697	10	40	HJCB	
CC(C)n1cnc2c(N(Cc3ccccc3O)Cc3ccccc3O)nc(Cl)nc21	22054481	VQPSNEQQJJUAQM-UHFFFAOYSA-N	423.904	4.679	10	40	HJCB	in-vitro
O=C1[C@H](/N=N/c2ccc(O)cc2Cl)C(Nc2ccccc2)=NN1c1ccccc1	102151966	JFOBTTSYUUNDBN-WWDJGNSZSA-N	405.845	4.970	10	40	HJCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cccc(OC)c2)c1C	222876304	CAYLWLCRNAUSKY-XZOQPEGZSA-N	420.582	4.880	10	40	HJCB	
Cc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2ccccc2C)c2ccc(N(C)C)cc2)cc1	6672474	NYANQWKTMDGMNX-SANMLTNESA-N	413.521	4.640	10	40	HJCB	
Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1-c1ccc2c(c1)CCC2	7148942	PWIAEQIXRVWLGJ-UHFFFAOYSA-N	406.555	4.564	10	40	HJCB	
Cc1ccc(C)c(-c2csc(NS(=O)(=O)c3cc(C(=O)O)ccc3Cl)n2)c1	12535987	FTYBISLBFXHEAD-UHFFFAOYSA-N	422.915	4.579	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccc(C)c1	14406745	RJFCQBKUJWVNQS-WQRHYEAKSA-N	412.283	4.635	10	40	HJCB	
O=C1[C@@H](/N=N/c2ccc(O)cc2Cl)C(Nc2ccccc2)=NN1c1ccccc1	38177930	JFOBTTSYUUNDBN-ZFZZVZNFSA-N	405.845	4.970	10	40	HJCB	
O=C(CSc1nc2ccccc2s1)NCc1cc(Cl)c2cccnc2c1O	41107895	CMLNXKCISDDDEQ-UHFFFAOYSA-N	415.927	4.612	10	40	HJCB	
CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1cccc(OCC)c1O)NC2	55211426	GENKECVRPZLRAE-QHCPKHFHSA-N	408.498	4.572	10	40	HJCB	
COc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1F	408695761	YSNMCVBXBYCQPC-UHFFFAOYSA-N	419.861	4.520	10	40	HJCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(C)cc3)C2=O)cc1	408752204	GLEUUJHQZJVFOU-PXLXIMEGSA-N	414.436	4.755	10	40	HJCB	
CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(CC)C3=O)o2)ccc1Cl	409211749	OLELGBJOBGFQFF-YBEGLDIGSA-N	421.927	4.998	10	40	HJCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc(F)cc2)C1=O	5234204	BVJVPYSZNWIRLB-JOEZZVDMSA-N	412.511	4.612	10	40	HJCB	
Cc1noc2c1[C@H](c1ccc(O)c(O)c1)C1=C(O)C[C@H](c3ccc(O)cc3)CC1=N2	102730454	YDGGCGHWUOAUFB-SZNDQCEHSA-N	404.422	4.708	10	40	HJCB	
COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1	260741066	FCPVSFBIUHHELK-JKSUJKDBSA-N	422.978	4.624	10	40	HJCB	
CCOC(=O)C1=C(C)N=C(SCc2cccc(C)c2)N[C@@H]1c1ccc(N(C)C)cc1	408990601	OFIGKHGKCZKJFV-JOCHJYFZSA-N	423.582	4.832	10	40	HJCB	
Cc1ccccc1NC(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	5370831	QWEFUWNDHRCKFT-UZYLVVNOSA-N	408.548	4.781	10	40	HJCB	
COc1cc2c(cc1NCC(=O)Nc1ccc(C)cc1[N+](=O)[O-])oc1ccccc12	11619276	CMHNBOVWBCDDPB-UHFFFAOYSA-N	405.410	4.862	10	40	HJCB	
CN(C)c1ccc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1	34387232	GPIALSZEDCALBP-URICHJNWSA-N	409.559	4.732	10	40	HJCB	
O=C1N=C(O)/C(=C\c2ccc(N3CCCC3)o2)C(=O)N1c1ccc(Cl)cc1Cl	59138528	GNFKIQQQEGMAHY-JLHYYAGUSA-N	420.252	4.693	10	40	HJCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccn1	225008794	GHEHWXTYSPIHOP-PKTZIBPZSA-N	417.582	4.799	10	40	HJCB	
O=C1/C(=C\c2cc(Br)ccc2O)C(c2ccccc2)=NN1c1ccccc1	409093455	ZLBURZXTIOPOKM-RGEXLXHISA-N	419.278	4.989	10	40	HJCB	
Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCc3ccco3)cc2c1	933927	YTBRDGUSNQCQRS-UHFFFAOYSA-N	417.534	4.506	10	40	HJCB	
CN1CCCc2cc([C@H](CNC(=O)c3ccc(Cl)cc3)N3CCCCC3)ccc21	9137356	LBDVCLPLWWOOHR-QHCPKHFHSA-N	411.977	4.679	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1O	9188635	FOYAEDFGSUCRBL-PXNMLYILSA-N	421.927	4.777	10	40	HJCB	
O=C1/C(=C/c2ccccc2Br)SC(=S)N1CCc1ccccc1	9188654	KAJAKYSRBUSHQI-VBKFSLOCSA-N	404.354	4.893	10	40	HJCB	
COc1cc2c(cc1NCC(=O)Nc1ccc(OC)c(OC)c1)oc1ccccc12	11619253	JEPZWMPJUSDNIH-UHFFFAOYSA-N	406.438	4.662	10	40	HJCB	
Cc1ccc(N2NC(=O)/C(=C/c3ccc(N(C)CCC(C)C)cc3)C2=O)cc1Cl	17146062	NCFZVJJPLYUXPN-MOSHPQCFSA-N	411.933	4.592	10	40	HJCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C	260778223	RLBWTCVAASVFEX-MAODMQOUSA-N	403.555	4.782	10	40	HJCB	
Cc1cccc(C(=O)N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)c1	408719035	GPJBDXHSPROPJO-XNTDXEJSSA-N	418.337	4.799	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OCC)SC2=S)cc1	409329384	FNCRRSZMKSMLMV-QGOAFFKASA-N	415.536	4.898	10	40	HJCB	
CCCCc1cc(=O)oc2c(CN(C)C[C@@H]3CCCN4CCCC[C@H]34)c(O)ccc12	524730717	UETDCFQGTNLMSA-SIKLNZKXSA-N	412.574	4.538	10	40	HJCB	biogenic
CCN(CCCNC(=S)Nc1ccc(Cl)c(C(=O)OC)c1)c1ccc(C)cc1	225734179	YUETXYMVKUNUAN-UHFFFAOYSA-N	419.978	4.638	10	40	HJCB	
COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)n2C)cc1	9572302	GKMUKGYGBXGCTF-UHFFFAOYSA-N	421.444	4.845	10	40	HJCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1	20101750	WHXIQBJNBZBCKK-LFIBNONCSA-N	419.369	4.921	10	40	HJCB	
CN(C)c1ccc(CN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1	32927782	NAIXMGMCRHAMSD-UHFFFAOYSA-N	407.750	4.534	10	40	HJCB	
COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1c(O)ccc2ccccc12	408893978	PKTWQBWTMLIZJZ-GRVPHDJPSA-N	413.473	4.979	10	40	HJCB	
CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(O)c1	408972924	WZVRJKGCDSBHQB-ATVHPVEESA-N	403.404	4.587	10	40	HJCB	
Cc1cc(/N=N\Cc2ccccc2)nc(NS(=O)(=O)c2ccccc2Cl)n1	4859385	VOSFRUNKEZICQW-ATJXCDBQSA-N	401.879	4.523	10	40	HJCB	
O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)SC(=S)N1C[C@@H]1CCCO1	12375682	CELQNOCWABHQCF-NWRYFCBHSA-N	405.928	4.980	10	40	HJCB	
C1=C(c2c[nH]c3ncccc23)CCN(c2nc(-c3cccnc3)nc3ccccc23)C1	22357208	YJUODNLNQQONTH-UHFFFAOYSA-N	404.477	4.862	10	40	HJCB	
C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)C1	223699148	HISWUPUQVWCNJE-CQSZACIVSA-N	413.370	4.708	10	40	HJCB	
COc1cc(/C=C2\SC(=S)NC2=O)ccc1OC(=O)c1cccc2ccccc12	408900162	TUWIYLIZEQPUQI-UNOMPAQXSA-N	421.499	4.556	10	40	HJCB	
Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)nc1	409241957	SYVIJSZMMYTTHT-YBFXNURJSA-N	406.873	4.548	10	40	HJCB	
CCCCC1(C)OC(=O)C(=Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(=O)O1	2222643	TVVMRMOOMVSGBH-UHFFFAOYSA-N	418.829	4.688	10	40	HJCB	
COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C	3279105	GYRZDHCSYOOHPN-UHFFFAOYSA-N	412.873	4.552	10	40	HJCB	
CCOc1ccc(-c2cnc(NCc3cc(Cl)ccc3O)n2CCOC)cc1	4679109	SJNMKUGBNPGWAH-UHFFFAOYSA-N	401.894	4.566	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl	14406574	YOMWBILKVKWPQT-ATVHPVEESA-N	412.829	4.516	10	40	HJCB	
C[C@H](NC(=O)C1(c2cccc(F)c2)CCOCC1)c1ccc(N2CCCCC2)cc1	19662159	JCGCNSRZNXXIKY-IBGZPJMESA-N	410.533	4.742	10	40	HJCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C	222973197	VOFXEWITYYVDCP-XZOQPEGZSA-N	419.598	4.965	10	40	HJCB	
CC[C@@H](C)n1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21	408901749	ZSFUIIBPJWCQGR-ONDHQXCVSA-N	421.884	4.932	10	40	HJCB	
O=C(O)C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S	5214741	NRHSSNNUTAQMQT-HEUOVEHFSA-N	403.912	4.757	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C/C=C/N3CCCc4ccccc43)SC2=S)cc1	4109195	IRHVYAOHILGLBI-PDVLSLHFSA-N	408.548	4.910	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2cccc(C)c2)cc1	5196886	PDYIVQKPWLMWQM-PXLXIMEGSA-N	413.433	4.746	10	40	HJCB	
CC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1c1ccccc1O	9781678	HOWHUSSKTKGAME-DEOSSOPVSA-N	422.488	4.943	10	40	HJCB	
CCc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1	16688871	WYOUCVLHOZZGKL-UNOMPAQXSA-N	410.564	4.706	10	40	HJCB	
O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Br)s1	17200491	HCTCKRVJZIUNPQ-UHFFFAOYSA-N	412.264	4.538	10	40	HJCB	
CCCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2Cc2ccccc2)c2ccccc21	33143545	UEIZCDDZPJSZTJ-XLNRJJMWSA-N	421.500	4.742	10	40	HJCB	
CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1	35860658	LHEZZMJLYVATKF-BOPFTXTBSA-N	417.328	4.752	10	40	HJCB	
COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccccc3OC(F)(F)F)C2=O)cc1	112125940	ZKJLHSFYMIGYKZ-PDGQHHTCSA-N	405.376	4.702	10	40	HJCB	
Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccncc4)n3C)c2C)cc1	2644918	LLPSKYRDSWIJRD-UHFFFAOYSA-N	417.538	4.568	10	40	HJCB	
O=C(O)CN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)SC1=S	2830555	MLOAJONWALNFPT-DHDCSXOGSA-N	421.952	4.777	10	40	HJCB	
COCc1cc(C(C)=O)ccc1OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	3354985	GGRUZSNHYWVCII-UHFFFAOYSA-N	409.457	4.844	10	40	HJCB	
O=C1/C(=C/c2cccc3nccnc23)SC(=S)N1c1ccc(F)c(Cl)c1	13722757	HKAVVDGPUNGQDE-NVNXTCNLSA-N	401.875	4.828	10	40	HJCB	
Cc1ccc(-c2cnc(SCC(=O)Nc3nc(C)cs3)n2Cc2ccco2)cc1	44086201	SGKUIQXSFIDZRK-UHFFFAOYSA-N	424.551	4.996	10	40	HJCB	
COc1ccc2cc(C3=C/C(=C/c4cc(OC)c(OC)c(OC)c4)C(=O)O3)ccc2c1	408721899	BFMBKOUYNMBNBT-OCKHKDLRSA-N	418.445	4.856	10	40	HJCB	
CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCCC[C@H]2C)c1O	4247255	HSECWTLJMNNWOK-OAHLLOKOSA-N	417.509	4.979	10	40	HJCB	
CCOC(=O)c1c(CSCN(CC)CC)oc2ccc(O)c(CN(CC)CC)c12	4311423	VREMIDPOHMCPKR-UHFFFAOYSA-N	422.591	4.689	10	40	HJCB	
O=C(Nc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)O)N2)c1ccc(Cl)cc1Cl	4371929	FXXMVOQVYPYDOI-ZJNRKIDTSA-N	403.265	4.784	10	40	HJCB	
CN1CCN([C@@H](c2ccc(Cl)cc2)c2cc(Cl)c3cccnc3c2O)CC1	21486950	YOFLBLOFOVCWEK-FQEVSTJZSA-N	402.325	4.584	10	40	HJCB	
CC1CCN(c2ccc([C@H](C)NC(=O)c3ccc(Cn4ccnc4)cc3)cc2)CC1	44854096	GEQCDKNBQFMBDI-FQEVSTJZSA-N	402.542	4.659	10	40	HJCB	
CCOC(=O)c1sc2nc(C)c(C(=O)OCC)c(-c3ccc(Cl)cc3)c2c1N	643066	TWBFVWKPOICDEG-UHFFFAOYSA-N	418.902	4.861	10	40	HJCB	
C[C@@H](Oc1ccccc1Cl)C(=O)N(Cc1ccc(N(C)C)cc1)c1ccccn1	28288170	GPSMNBSORYAJOO-QGZVFWFLSA-N	409.917	4.802	10	40	HJCB	
COc1cc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccn2)ccc1O	248147156	XNJWUZYLGPHULD-AVRDEDQJSA-N	407.857	4.692	10	40	HJCB	
O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S	2277407	HGLFMBQGIJJERK-XNTDXEJSSA-N	407.900	4.666	10	40	HJCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3c(Cl)cccc3Cl)SC2=S)cc1	2300019	PEASXBLRBPPADB-DHDCSXOGSA-N	423.346	4.848	10	40	HJCB	
CCOC(=O)Cn1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)c2ccccc21	12413518	INXZLCSADCJNFG-JAIQZWGSSA-N	421.884	4.664	10	40	HJCB	
CN(C)c1ccc(CNC(=O)c2ccccc2SCc2cn3ccccc3n2)cc1	28440679	WRUKSRGCENNMTD-UHFFFAOYSA-N	416.550	4.623	10	40	HJCB	
O=C1c2ccccc2N[C@@H](c2cc(Cl)cc(Cl)c2O)N1CCc1ccccn1	1573954	XNODUJYLAIIVDZ-HXUWFJFHSA-N	414.292	4.903	10	40	HJCB	in-vitro
Cc1c(C=O)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(C(F)(F)F)c1	2243966	FNBFWBIZMLSTKV-UHFFFAOYSA-N	407.413	4.688	10	40	HJCB	
CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(N(CC)CC)cc1	4741594	VIWYPUIBLOZBKC-JOCHJYFZSA-N	404.514	4.735	10	40	HJCB	
Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(O)cc1	222616266	LWNHALJQTXGXPR-RXYZOABWSA-N	404.539	4.784	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccccc2F)cc1	408763104	DOMBZEBCCMXUHZ-KGENOOAVSA-N	400.409	4.667	10	40	HJCB	
Cc1cc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)c(C)s2)c(C)s1	32717132	XNRJAGHCUCVXJQ-UHFFFAOYSA-N	400.497	4.876	10	40	HJCB	
O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	59459809	DHFOTMGAZSIHID-ZROIWOOFSA-N	421.297	4.763	10	40	HJCB	
COc1cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc(Br)c1OC	4893414	IJMDOAYEENUADT-NVNXTCNLSA-N	401.256	4.756	10	40	HJCB	
CC(C)CN1C(=O)[C@@H](Cc2ccc(OCc3ccccc3F)cc2)SC1=S	6326157	GQJWZMNKCVTTBA-LJQANCHMSA-N	403.544	4.832	10	40	HJCB	
C[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12	9419192	SEJJZBUZAGEDGM-ZDUSSCGKSA-N	408.885	4.848	10	40	HJCB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)S1	32110015	IEFJIRGIEKCHIL-RQZCQDPDSA-N	421.305	4.679	10	40	HJCB	
C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1	62225280	OGEMXXSMQYWUTR-MRXNPFEDSA-N	417.347	4.523	10	40	HJCB	
CCOc1cc(N2CCCC2)ccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21	222606869	XKHXWAPNRHRMQO-USCONSEESA-N	408.571	4.670	10	40	HJCB	
COC(=O)c1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(C)cc3)C2=O)cc1	408751624	APLDAAVEELENHK-XQNSMLJCSA-N	410.473	4.925	10	40	HJCB	
CCOCCCNc1cc(Br)c2noc3c2c1C(=O)c1ccccc1-3	4772689	RFEXTDDUTCQKRL-UHFFFAOYSA-N	401.260	4.640	10	40	HJCB	
O=S(=O)(Nc1cc(SC2=NCCS2)c(O)c2ccccc12)c1ccccc1	8870462	SHFWTDJWXPFTIY-UHFFFAOYSA-N	416.549	4.541	10	40	HJCB	
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OCC	60510592	GLSHDGHKFBLRRK-UYRXBGFRSA-N	415.536	4.898	10	40	HJCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1	640806	BJVRPCDLKXNJDL-KGENOOAVSA-N	418.880	4.689	10	40	HJCB	
CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2C(=O)OC(C)C)C1	5954120	OCIKZZVAZLUVMG-ZNMIVQPWSA-N	421.559	4.658	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1C(F)(F)F	6212395	ZOFUOQKSFLGELE-ATVHPVEESA-N	401.384	4.891	10	40	HJCB	
CC(C)Cc1ccc([C@@H](C)C(=O)NN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1	1245390	IPYXSGOEVYWWMZ-ZHTGWBIJSA-N	424.591	4.921	10	40	HJCB	
CC1=CC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4F)c(Cl)c3)C(=N)N2O1	41078325	FTXGHHNRSBQKFA-FWDDTQSRSA-N	411.820	4.508	10	40	HJCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccn1	222909293	MSZIUYMQBBAIOH-FGZHOGPDSA-N	405.571	4.513	10	40	HJCB	
COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OC	225654517	KAEGAWMDPXMFHX-KRWDZBQOSA-N	413.587	4.988	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)C1	260578087	VWICNFACEBRNTI-RBUKOAKNSA-N	405.542	4.541	10	40	HJCB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c1C	409021142	YHFGLCWTJJAUPV-XDHOZWIPSA-N	421.884	4.853	10	40	HJCB	
COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc(Cl)c1OC(C)=O	871887	YDLIRXUASKSFJY-VGOFMYFVSA-N	405.233	4.909	10	40	HJCB	
CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1O[C@@H](C)c1ccccc1	41078299	NLFCTPGMQWXHGR-FSYPTUMHSA-N	417.465	4.676	10	40	HJCB	
Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)o1	59138926	PIMBGCIQTQKTEW-CPNJWEJPSA-N	420.852	4.917	10	40	HJCB	
C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCc3ccc(N4CCCC4)cc3)cn2)C1	223952722	OGOZVSNBGMVGIK-RTBURBONSA-N	423.630	4.651	10	40	HJCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccccn4)c3C)N21	260775048	OVWLCDKNDGWDNV-YHYVQYDKSA-N	403.555	4.864	10	40	HJCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2ccc(Cl)cc2)o1	409078928	JFZPZDABFSTOIR-ATVHPVEESA-N	424.865	4.751	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(OC)c1	409352635	XZQKVCIZNLKWKX-RQZCQDPDSA-N	403.550	4.832	10	40	HJCB	
O=C(O)/C(=C\c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Sc1nc2ccccc2o1	7365543	VUCBWHLQLDQJFA-LDADJPATSA-N	411.439	4.554	10	40	HJCB	
CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(Br)cc1	16160906	OLNNACFJQWIAQB-ZSOIEALJSA-N	419.662	4.607	10	40	HJCB	
COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CC[C@H](C(C)(C)C)C2	17092778	BQUYVTSRZJNFJW-BFHYXJOUSA-N	421.559	4.515	10	40	HJCB	
Cc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1	35349246	CKYDKWNJWTXZBC-AREMUKBSSA-N	413.565	4.590	10	40	HJCB	
COc1cc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)cc(Br)c1O	102989296	DKZSOUXAIRFHPI-OQLLNIDSSA-N	419.300	4.554	10	40	HJCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)nc1	222928500	KJXPEPVOKAHCTD-GOTSBHOMSA-N	419.598	4.821	10	40	HJCB	
C[C@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCc3ccc(N4CCCC4)cc3)cn2)C1	223952772	OGOZVSNBGMVGIK-KDURUIRLSA-N	423.630	4.651	10	40	HJCB	
COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c(OC)c1	225654411	NJLCLCNLZXSMQC-KRWDZBQOSA-N	413.587	4.988	10	40	HJCB	
O=C1C(=Cc2c[nH]c3ccccc23)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	4745221	VSTWCIUULOBCGW-UHFFFAOYSA-N	407.429	4.751	10	40	HJCB	biogenic,in-vitro
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCCCC3)C2=O)cc1	4745343	PYEHJCMGFUNWSL-MNDPQUGUSA-N	416.612	4.769	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OC)c(OC)c1	14009203	TYWHUYBFYWLRLU-MOSHPQCFSA-N	421.493	4.588	10	40	HJCB	
O=C1/C(=C/C=C\c2ccccc2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2	33597141	DRESEQRWNVMBNX-CVNHQRIKSA-N	424.591	4.692	10	40	HJCB	
O=C1O[C@H](C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)Cc2ccccc21	69368167	KUOWFFQKPHECQZ-ZCYQVOJMSA-N	423.468	4.533	10	40	HJCB	
CCOC(=O)Cn1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21	408903101	UMHZDBHSVZLGJN-XDHOZWIPSA-N	422.531	4.610	10	40	HJCB	
Cc1cc(C)n2c(S[C@H](C)C(=O)c3cc(C)n(-c4ccccc4)c3C)nnc2n1	3368244	CUIHQSBFIVSTFI-QGZVFWFLSA-N	405.527	4.512	10	40	HJCB	
COc1ccc(-c2cc3ccc(O)c(CN4CCCCCC4)c3oc2=O)cc1OC	4353907	HCEQQRLTANCZFN-UHFFFAOYSA-N	409.482	4.559	10	40	HJCB	biogenic
COc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccc(O)c(O)c2)[nH]c1-c1ccccc1	6282486	CIOJSKXOEPRLGU-UHFFFAOYSA-N	403.394	4.739	10	40	HJCB	
COc1cc(Cl)c(C[C@H]2SC(=S)N(CCC3CCCC3)C2=O)cc1OC	8106906	RLHJTMQEMLHNRY-QGZVFWFLSA-N	413.992	4.709	10	40	HJCB	
CCc1ccccc1N1C(=O)/C(=C\c2ccc(N3CCCC3)c(C)c2)C(O)=NC1=S	59104642	HFXRXIRAXOCBLF-CYVLTUHYSA-N	419.550	4.829	10	40	HJCB	
COc1cc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2C)c(OC)cc1Cl	112125631	LAOVXYFSKKASLK-ODLFYWEKSA-N	403.841	4.605	10	40	HJCB	
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)C1	218124624	RFNZLCJXMVFQAW-HUUCEWRRSA-N	401.894	4.976	10	40	HJCB	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccc(C)c3)C2=O)cc1	2285347	MIIWAKIRYMXNDF-XMHGGMMESA-N	410.564	4.924	10	40	HJCB	
COc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21	6721760	VPLWSDJGHSBFKG-GCJKJVERSA-N	407.857	4.692	10	40	HJCB	
COc1ccc(CN2C(=O)/C(=C/c3ccc(OC)c(Cl)c3)SC2=S)cc1	16216654	DVKOXAZCQDEHFI-YVLHZVERSA-N	405.928	4.759	10	40	HJCB	
Cc1cc(NC(=S)NCCCN2CCCc3ccccc32)ccc1Br	225745645	UYYUMJMLGUWLMH-UHFFFAOYSA-N	418.404	4.887	10	40	HJCB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1c(C)nn(-c2cccc([N+](=O)[O-])c2)c1C	408757449	NLPJOCLAIDYMQW-XKZIYDEJSA-N	415.453	4.512	10	40	HJCB	
CC1=NN(c2cccc(C)c2)C(=O)/C1=C\c1c(C)nn(-c2cccc([N+](=O)[O-])c2)c1C	408757711	PCVPBSKRRMOSCS-XKZIYDEJSA-N	415.453	4.512	10	40	HJCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Cc2ccccc2Cl)cc1	408883488	UWCVRYOZWDQYDH-HMMYKYKNSA-N	416.864	4.597	10	40	HJCB	
CCOc1ccc2ccccc2c1/C=C1\SC(NC(=O)c2ccccc2)=NC1=O	409127367	HHZJSXDPBKBLPU-ZHZULCJRSA-N	402.475	4.639	10	40	HJCB	
COc1cccc(/C=C2\SC(=S)N(C)C2=O)c1OCc1ccc(Cl)cc1	409346486	KZYAXTMGAVTJHF-YBEGLDIGSA-N	405.928	4.759	10	40	HJCB	
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S	12274220	KEHKQIPUBQIJQP-VUVCFOEZSA-N	419.499	4.930	10	40	HJCB	
Cc1ccc(-n2c(C)cc(C(=O)COC(=O)CCc3nc(C(C)C)no3)c2C)cc1C	32936208	RGMRKVUOYBGETM-UHFFFAOYSA-N	423.513	4.576	10	40	HJCB	
COc1cc(N2CCCCC2)ccc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21	222595533	AIKKHGIMPAMBMI-SSKFGXFMSA-N	408.571	4.670	10	40	HJCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1	222837613	UYXIRQGGTQRJOQ-FCHUYYIVSA-N	405.571	4.573	10	40	HJCB	
CCc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc1	409326554	CCSUWAZHPSODIE-BOPFTXTBSA-N	416.955	4.757	10	40	HJCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C	222883078	BKYNWIHJQYAPBJ-SFTDATJTSA-N	405.571	4.575	10	40	HJCB	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2Br)cc1	6804312	XHCBSKRVFQRGLE-UHFFFAOYSA-N	413.315	4.951	10	40	HJCB	
O=C(c1ccccc1)c1ccccc1N/C=C\c1nnnn1-c1ccc(Cl)cc1	100975067	DMAHLQQLFTVHDH-PFONDFGASA-N	401.857	4.630	10	40	HJCB	
COc1ccccc1C1=N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1c1ccc(C)cc1	408846577	TXLDDAGTFBJMBZ-DEDYPNTBSA-N	412.445	4.567	10	40	HJCB	
CCCOc1c(Cl)cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OC	408945115	VXDNGIAFDLXBET-GZTJUZNOSA-N	412.873	4.579	10	40	HJCB	
COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1	223395488	FCPVSFBIUHHELK-CVEARBPZSA-N	422.978	4.624	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1cccc(F)c1	408588364	VSWRACGXMSSMCY-YVLHZVERSA-N	405.347	4.722	10	40	HJCB	
CCn1c(C)cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c1C	409102543	YODOEBPVGXXJPZ-UHFFFAOYSA-N	413.477	4.708	10	40	HJCB	
COc1cc(N2CCOCC2)ccc1/C=C1/C(=O)N(c2ccccc2)c2ccccc21	3648489	JYOGEEHCTMYJEN-HAVVHWLPSA-N	412.489	4.751	10	40	HJCB	
CC(C)c1ccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1	5374241	SHOTYJRRTHYCQY-ZJYZBMPFSA-N	411.548	4.707	10	40	HJCB	
C[C@H]1CCCCN1Cc1c(O)ccc2c(=O)c(-c3nc4ccccc4s3)c(N)oc12	8691788	CHUMOEDFCLOHDH-ZDUSSCGKSA-N	421.522	4.732	10	40	HJCB	biogenic
CCc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1	16688873	SJTKFNIPDIKYAQ-UNOMPAQXSA-N	410.564	4.706	10	40	HJCB	
COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)C1CCCC1	20717873	JZXUVCJZISYVFX-UHFFFAOYSA-N	404.514	4.584	10	40	HJCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C4CCCC4)c3C)C2=O)cc1C	408778431	UMMYMPVQOHANET-FYJGNVAPSA-N	405.498	4.503	10	40	HJCB	
O=C1N=C(O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1c1ccc(F)cc1	59106187	USZHMFYTRBGPLY-WJDWOHSUSA-N	421.340	4.501	10	40	HJCB	
COc1cc(N2N=C(C)/C(=C/Nc3ccccc3Br)C2=O)ccc1Cl	408539774	YVERETAVCURWBQ-RAXLEYEMSA-N	420.694	4.830	10	40	HJCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(Cl)c1O	409078352	HOONQQSICIEGCR-PDGQHHTCSA-N	404.853	4.889	10	40	HJCB	
COc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc(-n2c(C)ccc2C)c1	7379198	FDMGDYLWAOAXHI-UHFFFAOYSA-N	412.873	4.552	10	40	HJCB	
O=C1OC(c2ccccc2)=N/C1=C\Nc1ccc(Cl)cc1C(=O)c1ccccc1	17746776	QXOMBTFFVIZQBR-ZHZULCJRSA-N	402.837	4.828	10	40	HJCB	
O=c1c(-c2ccc(Br)cc2)coc2c(CN3CCCC3)c(O)ccc12	20358905	YTEZWXJGGUWRQA-UHFFFAOYSA-N	400.272	4.524	10	40	HJCB	
CC(=O)N(CN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)c1ccccc1	33744044	IXQXQOSEGBCBCB-BOPFTXTBSA-N	402.928	4.552	10	40	HJCB	
CC(=O)Nc1cc(N2CC=C(c3c[nH]c4cccc(C)c34)CC2)c(F)cc1[N+](=O)[O-]	40139294	ZFPQJVGIEWVPOS-UHFFFAOYSA-N	408.433	4.776	10	40	HJCB	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	4156397	XCSSIRYDUCVCGL-CQSZACIVSA-N	419.864	4.830	10	40	HJCB	
COc1ccc(CN(C)Cc2cc(Cl)c3ccccc3c2O)c(OC)c1OC	13073724	CJOXGOLWRCERMQ-UHFFFAOYSA-N	401.890	4.857	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccccc1C(F)(F)F	408798540	VSNDHJSUIJZFLM-ATVHPVEESA-N	401.384	4.891	10	40	HJCB	
COc1c(Cl)cc(Br)cc1/C=C1\SC(=S)N(CC(C)C)C1=O	409040092	SLJCQQFLEXIEFR-XGICHPGQSA-N	420.781	4.968	10	40	HJCB	
O=C1/C(=C\c2ccccc2)SC(=S)N1CNc1ccccc1Br	3149847	BLRNNISMEFBWDK-XNTDXEJSSA-N	405.342	4.720	10	40	HJCB	
C[C@@H](NCc1cccc(NC(=O)C2CCC2)c1)c1cc(Br)ccc1O	95469446	PEFZSHDMSPPCNO-CYBMUJFWSA-N	403.320	4.744	10	40	HJCB	
O=C1N=C(N2C=CC(=C3C=CNC=C3)C=C2)/C(=C\N=NC(=O)c2ccccc2)S1	334141691	GRYAHISAUSLYBZ-GCYWLKIKSA-N	401.451	4.656	10	40	HJCB	
Cc1c(Cl)cccc1NCN1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O	5128168	AACIBAMDNUPWNE-WOJGMQOQSA-N	401.919	4.820	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1Cl	9232251	YUWIXBGOSZNKIT-OVCLIPMQSA-N	406.872	4.663	10	40	HJCB	
CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)SC1=S	26965672	ZZJXCTHKNOFTEZ-UYRXBGFRSA-N	421.547	4.769	10	40	HJCB	
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccn4)c3C)N21	222681931	OVWLCDKNDGWDNV-MTNREXPMSA-N	403.555	4.864	10	40	HJCB	
CCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(O)cc3)C2=O)cc1	408759147	YRIQSLRBTYHISC-XQNSMLJCSA-N	414.461	4.634	10	40	HJCB	
CCN(CC)c1ccc([C@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)cc1	6418090	KFOVOIRHTHHQOU-GOSISDBHSA-N	410.568	4.969	10	40	HJCB	
COc1ccc(N2CCN(C(=O)c3ccc(-c4nc5ccccc5s4)o3)CC2)cc1	8191594	NPCDRTFAOYVLTR-UHFFFAOYSA-N	419.506	4.527	10	40	HJCB	
COc1ccc(CN[C@@H](Cc2cccs2)c2nc(C)cs2)cc1Cn1cccn1	19240078	WHERAZDIVUKKMM-FQEVSTJZSA-N	424.595	4.840	10	40	HJCB	
COc1cccc(Oc2c(C)oc3c(CN4CCC(C)CC4)c(O)ccc3c2=O)c1	23114506	ZNZXCUIOZSWCLV-UHFFFAOYSA-N	409.482	4.840	10	40	HJCB	biogenic
O=C(O)COc1ccc(/C=C2\SC(Nc3cccc(Cl)c3Cl)=NC2=O)cc1	210412266	MFCWFAHZZOHNOM-ZSOIEALJSA-N	423.277	4.539	10	40	HJCB	
CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1	224711086	BIVGXZXGJRBVFL-UHFFFAOYSA-N	413.993	4.715	10	40	HJCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(OCc2ccccc2)ccc2ccccc12	409398523	BSNXOHUHBDFWST-ULJHMMPZSA-N	420.468	4.880	10	40	HJCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)o1	665450	MXPCDYLLRWGCBS-WOJGMQOQSA-N	422.824	4.704	10	40	HJCB	
CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2	13640800	QMBYAZIEHSVSNX-JLHGSKIFSA-N	409.482	4.716	10	40	HJCB	
CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCC(C)CC2)c1O	1254955	KINIMPMVNCSFNS-UHFFFAOYSA-N	417.509	4.836	10	40	HJCB	
CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3ccc(-c4ccccc4)cc3)S2)CC1	6401622	LNDZXUITAVMEEI-PGMHBOJBSA-N	420.534	4.599	10	40	HJCB	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=C\c1ccc(N(C)C)cc1	12403925	ZBASBVHOXYCPJH-MOSHPQCFSA-N	402.523	4.991	10	40	HJCB	
O=C(CSc1ccc(/C=C2\SC(=S)NC2=O)cc1)Nc1ccc(Cl)cc1	15057119	IDYSHLIPGZCZAI-DHDCSXOGSA-N	420.968	4.560	10	40	HJCB	
Cc1ccc(C(=O)N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1	16291894	RJXJARLXGFYTNB-XNTDXEJSSA-N	418.337	4.799	10	40	HJCB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2C)c1O	19797719	MEKUUHGSMDDPRP-UNOMPAQXSA-N	420.900	4.963	10	40	HJCB	
CCCCC1=NN2C(=N)/C(=C/c3cccn3-c3cc(C)ccc3C)C(=O)N=C2S1	41082816	NFDATXFOEIONNA-HVZAKDRGSA-N	405.527	4.904	10	40	HJCB	
CCOc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(O)cc3)C2=O)cc1	39132418	SLFYPROEESECNX-CJLVFECKSA-N	414.461	4.634	10	40	HJCB	
CC(=O)Nc1ccc(N2C(=O)/C(=C/C3=Cc4ccccc4O[C@@H]3C)SC2=S)cc1	54361104	IGOWHUJHGIVAAB-UAAGNOOKSA-N	422.531	4.758	10	40	HJCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccccc1OC	112290658	ATCBLZNGLWTAPA-QNGOZBTKSA-N	420.538	4.871	10	40	HJCB	
C[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(N2CCCCC2)cc1	225813865	JJVREANJIIGOCW-INIZCTEOSA-N	406.448	4.952	10	40	HJCB	
Cc1ccc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c(C)c1	1850143	IARQEQDAJDPEFY-CAMSTOTOSA-N	408.548	4.700	10	40	HJCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1O	222921296	MZCGQNNEJPVSIJ-DHIUTWEWSA-N	420.582	4.823	10	40	HJCB	
COc1cc(OC)c(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)cc1Cl	2116839	IDQSCPKMZAJZSO-UHFFFAOYSA-N	423.852	4.973	10	40	HJCB	biogenic
CC(=O)N1N=C2/C(=C/c3ccc(N(C)C)cc3)CCC[C@@H]2[C@@H]1c1ccc(N(C)C)cc1	4663723	FNGUDYDAOXIEBE-VDDKRMBASA-N	416.569	4.962	10	40	HJCB	
CC[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	4857106	VKYUANZNBXOVFO-LBFFYKKLSA-N	408.614	4.521	10	40	HJCB	
CCOc1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)cc1	7423302	VIHSXGATRITOSO-UHFFFAOYSA-N	401.919	4.870	10	40	HJCB	
CC(=O)c1ccccc1OC[C@@H](O)CNc1ccc(Cl)cc1C(=O)c1ccccc1	16941207	IYPMCKHGXGFNSH-IBGZPJMESA-N	423.896	4.625	10	40	HJCB	
O=C(NN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S)c1cccs1	409339308	TYHCFXUVMJKCKX-KPKJPENVSA-N	415.348	4.601	10	40	HJCB	
CCOc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OC(F)F	409345022	KYTLTMSDGJWXDF-YBEGLDIGSA-N	424.494	4.642	10	40	HJCB	
COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2ccc(NC(C)=O)cc2)cc1	1717334	SSEBCRIOCHXHDR-UHFFFAOYSA-N	417.509	4.688	10	40	HJCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	4674984	IOXCBHJUDPCQQS-CPNJWEJPSA-N	411.483	4.678	10	40	HJCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1cccc(Cl)c1	1005557	SCMIFULAAWZRIB-LFIBNONCSA-N	402.928	4.570	10	40	HJCB	
Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3C)C2=O)cc1	2303384	PODBZLWETWSVJT-XMHGGMMESA-N	410.564	4.924	10	40	HJCB	
COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c1	7496775	MXFOCOZAVZHCDX-UHFFFAOYSA-N	412.873	4.698	10	40	HJCB	
O=C1/C(=C\c2cc3ccccc3oc2=O)SC(=S)N1c1ccc(F)c(Cl)c1	9289071	HCDSAWCKMZWEOI-LZYBPNLTSA-N	417.870	4.991	10	40	HJCB	
CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1ccc(CN2CCCC2)cc1	12754146	ARFAITGDEBXABK-UHFFFAOYSA-N	420.601	4.614	10	40	HJCB	
CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C(=O)c1nc(Cl)ccc1Cl	58085263	HFIQHIZQQPPZIJ-UHFFFAOYSA-N	422.356	4.666	10	40	HJCB	
COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccccc4OC)C3=O)n2)cc1	100510797	HBVLUQWUPDXMJW-FYTMPNSFSA-N	421.482	4.702	10	40	HJCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1cccc(OC)c1	112290701	RWKCJRPCJOWDBU-QNGOZBTKSA-N	420.538	4.871	10	40	HJCB	
CC1CCN(c2ccc([C@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1	218124533	ZIVBWCODFOITNF-HNNXBMFYSA-N	401.894	4.976	10	40	HJCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)nc1	222838048	UZSTYKZLXNPFRB-FGZHOGPDSA-N	405.571	4.573	10	40	HJCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)C(=O)NC2=S)c1	408741632	RFTYQXOYCCYBFK-KGENOOAVSA-N	421.566	4.750	10	40	HJCB	
COc1ccc(-c2cc3ccc(O)c(CN4CCCC[C@@H]4C)c3oc2=O)c(OC)c1	4084578	KIKIQBADWIOIQJ-HNNXBMFYSA-N	409.482	4.557	10	40	HJCB	biogenic
CCN(CC)c1ccc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)cc1	4663638	ORRBRUSUFLVJJQ-ANDFITQPSA-N	402.523	4.837	10	40	HJCB	
COc1ccc(C(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2cccc(OC)c2O)cc1	9260823	VYJRSILRCYOLBJ-QFIPXVFZSA-N	416.477	4.709	10	40	HJCB	
Cc1cc(N2CCCC2)c(F)cc1/C=C1/C(=O)N(c2ccccc2C)C(=S)N=C1O	34688465	LBJKDDZTANNMKW-SFQUDFHCSA-N	423.513	4.714	10	40	HJCB	
CCOC(=O)/C=C(\C)N1N=C(c2ccc(F)cc2)C[C@H]1c1cc(Cl)ccc1O	80325281	PLQIWNVEZRJDAZ-QHSLDKKCSA-N	402.853	4.803	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)C1	260577890	OFNNXPPQRJGZQO-PMACEKPBSA-N	419.569	4.536	10	40	HJCB	
CCOc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1	882754	XSJSWLNGCONEMK-UHFFFAOYSA-N	422.466	4.521	10	40	HJCB	
COc1ccc(CN2C(=O)/C(=C/C3=Cc4ccccc4O[C@H]3C)SC2=S)cc1	2886929	AZVHVGQQZUWGLI-GQFJFNLSSA-N	409.532	4.804	10	40	HJCB	
c1csc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(N3CCOCC3)cc2)c1	105833393	XZAVUHKDEYOGSS-ZJSXRUAMSA-N	417.534	4.827	10	40	HJCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1	222637184	GOEZXFDTPMHMQQ-KNXBSLHKSA-N	404.539	4.779	10	40	HJCB	
COc1ccc(OC)c(-c2cc3ccc(O)c(CN4CCCCCC4)c3oc2=O)c1	4084920	FEPRPQHSZZLPDP-UHFFFAOYSA-N	409.482	4.559	10	40	HJCB	biogenic
CCN1/C(=C2/SC(=S)N(c3ccccc3)C2=O)Sc2ccc(OC)cc21	100500061	FFSPSQPYTWTBDN-VLGSPTGOSA-N	400.550	4.861	10	40	HJCB	
COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1OC	225668364	ANECCWLFBFIYRB-IAGOWNOFSA-N	413.587	4.988	10	40	HJCB	
COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1	260741064	FCPVSFBIUHHELK-HOTGVXAUSA-N	422.978	4.624	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3cccc(C)c3)C2=O)cc1OC	408762505	BSHBEYODRNYLCV-KGENOOAVSA-N	416.452	4.986	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OC	409340554	ZFFGADTZXFKVNT-OQLLNIDSSA-N	409.891	4.902	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C/c3coc4ccccc4c3=O)SC2=S)cc1	409383337	UKUXCIQEDADJTF-WQRHYEAKSA-N	409.488	4.598	10	40	HJCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3c4ccccc4cc4ccccc34)C2=O)cc1	6167809	LJFHEPPSISXOHF-HAHDFKILSA-N	406.441	4.968	10	40	HJCB	
O=C(NCc1ccc(N2CCCCC2)cc1)C1(c2ccc(Cl)cc2)CCOCC1	19662061	LFIFUGKUVCYLQX-UHFFFAOYSA-N	412.961	4.695	10	40	HJCB	
CCN1c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2[C@H](C)CC1(C)C	208314178	QJWQDWIDKLXSON-PJMHOZITSA-N	403.551	4.569	10	40	HJCB	
Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1cc(Cl)ccc1Cl	4641954	ZCNXSXKIFAXAQV-URYGWFBQSA-N	418.309	4.650	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(F)F	7065620	DMGYSWYVNYSFAP-MHWRWJLKSA-N	407.463	4.698	10	40	HJCB	
CC[C@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S	12032427	IOHJNMCQCITKFZ-CMAIMYMYSA-N	416.612	4.768	10	40	HJCB	
Cc1cc(CN[C@H](C[S@](C)=O)c2ccccc2)c(C)n1-c1ccc(F)c(F)c1F	96003640	NRPQGFVILKDEBD-SONOPUAISA-N	420.500	4.721	10	40	HJCB	
CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C1=O	409010884	GBPWXVHPPCBIJI-HCZVKUGISA-N	412.511	4.716	10	40	HJCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3ccc(OC)cc3)C2=O)cc1	3044053	DLDWTGKFTUKJGJ-XSFVSMFZSA-N	411.527	4.647	10	40	HJCB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)S1	9762532	MPLHKYXCVUTXNT-CXUHLZMHSA-N	421.305	4.679	10	40	HJCB	
C[C@@](CCCCN=[N+]=[N-])(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	95950110	RMUCLSZPXSHUDT-QFIPXVFZSA-N	408.458	4.849	10	40	HJCB	
Cc1cccc(C)c1NC(=O)[C@H](c1ccc(N(C)C)cc1)N1C(=O)C[C@H]1c1ccco1	1083544	CUDHQDOBFYDTCA-RDPSFJRHSA-N	417.509	4.616	10	40	HJCB	
CCCCN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S	2688803	GRBDRKCZFJJKMY-VHEBQXMUSA-N	408.548	4.605	10	40	HJCB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21	6951540	LHVRJYRWVMSTPF-ZJNRKIDTSA-N	401.806	4.992	10	40	HJCB	
C/C(NC1CCCC1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	17082520	VMNXWQLVGMPVMW-HKWRFOASSA-N	402.523	4.853	10	40	HJCB	
COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1	408769855	PVLLLVKUARDHSK-KQWNVCNZSA-N	419.521	4.734	10	40	HJCB	
O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1c2ccccc2cc2ccccc12	408913621	MMUDCVDGCSCMFA-HYARGMPZSA-N	410.404	4.799	10	40	HJCB	
CCCn1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c2ccccc21	5100864	KFMGFIWQHGYAKJ-FOWTUZBSSA-N	407.470	4.862	10	40	HJCB	
C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)S2)C[C@H](C)O1	26687928	JREVBGMNOLCWGD-ZASVFINYSA-N	402.903	4.680	10	40	HJCB	
CCc1ccccc1N1C(=O)/C(=C\c2ccc(OC)c(OC)c2OC)SC1=S	35040674	BBPLCWVMFWLNOH-SFQUDFHCSA-N	415.536	4.681	10	40	HJCB	
O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2	36081413	BGWHIQPKHYRFBX-UYSIFFEZSA-N	415.243	4.913	10	40	HJCB	
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1ccc(C)cc1	100525270	QWHWPYOLYPFAKL-KGNHYALCSA-N	420.454	4.902	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)C(=O)NC2=S)cc1C	408771555	HHHWQDUBCVYAIG-FYJGNVAPSA-N	421.566	4.668	10	40	HJCB	
CC(=O)c1ccccc1OC[C@H](O)CNc1ccc(Cl)cc1C(=O)c1ccccc1	1585938	IYPMCKHGXGFNSH-LJQANCHMSA-N	423.896	4.625	10	40	HJCB	
Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1-c1ccc2c(c1)OCO2	6618999	FYABYNXYJAHXPR-UHFFFAOYSA-N	405.479	4.674	10	40	HJCB	
Cc1ccccc1-n1c(C)cc(C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1C	12563053	MBESGADRHLXHDW-UHFFFAOYSA-N	421.585	4.657	10	40	HJCB	
Cc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccc(F)cc1	41082963	KKYIDXATLAZUFU-MHHBVAOCSA-N	423.517	4.899	10	40	HJCB	
Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@H]2c1ccccn1	102907301	UFBLTLQFLXZCOC-RXVVDRJESA-N	422.282	4.792	10	40	HJCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)c(Cl)c1	409149802	RFRMTIKGMVVAQO-OQLLNIDSSA-N	423.346	4.848	10	40	HJCB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	409207573	WUTIEWRLUNGPAL-UVTDQMKNSA-N	419.264	4.658	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1OC(C)=O	409330865	NGANVPDZFDDVJE-YBFXNURJSA-N	413.520	4.643	10	40	HJCB	
COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C)cccc12	5008979	YLWFLLTTWGXTFH-UHFFFAOYSA-N	407.495	4.820	10	40	HJCB	
CC(=O)NCc1ccccc1C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1	6317897	WAUARLCFSZQAFC-UHFFFAOYSA-N	401.554	4.635	10	40	HJCB	
COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1[N+](=O)[O-]	1028661	PSHDVNVHHRNMSV-OVCLIPMQSA-N	406.872	4.663	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1F	9434401	ZKJUQKTVYUJUJS-SXGWCWSVSA-N	423.918	4.898	10	40	HJCB	
COc1ccc(N2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1	19657280	IELOPBSCEQHMRT-HTAPYJJXSA-N	407.539	4.539	10	40	HJCB	
CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1	225417771	LFLURVSQBDETKI-UHFFFAOYSA-N	411.571	4.649	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccccc3)C2=O)cc1OC	408841307	GBVQCPDQJOEHBQ-HMMYKYKNSA-N	414.461	4.547	10	40	HJCB	
Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C2=O)cc1	409240385	TWDXWUKWILCDLP-WSDLNYQXSA-N	403.457	4.635	10	40	HJCB	
Cc1ccc(C=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)s1	2269420	WETJAAPPDJWCQT-UHFFFAOYSA-N	400.544	4.896	10	40	HJCB	
C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)S2)C[C@@H](C)O1	26687921	JREVBGMNOLCWGD-ZDDMZOBVSA-N	402.903	4.680	10	40	HJCB	
CCOc1cc(N(CC)CC)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21	222604534	ZCDOPRAYMMKXIS-KNXBSLHKSA-N	410.587	4.916	10	40	HJCB	
COc1ccc(N(C)CCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1	225798076	ARVGELMKVNMCRM-UHFFFAOYSA-N	417.884	4.790	10	40	HJCB	
O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1	669320	BUVZCBKWSFPUBA-XNTDXEJSSA-N	417.223	4.854	10	40	HJCB	
COc1cccc(/C=C2\SC(Nc3cccc(Br)c3)=NC2=O)c1OC	2261090	XJGYQTXUIGMQGO-DHDCSXOGSA-N	419.300	4.549	10	40	HJCB	
CC1CCN(C(=O)CCCCCN2C(=O)/C(=C/c3ccccc3)SC2=S)CC1	5370722	OPIHSDRCTPGGBC-MNDPQUGUSA-N	416.612	4.707	10	40	HJCB	
CCN(CC)c1ccc(N/C=C2\C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)cc1	18212356	LCUMLJSQONOUBY-AQTBWJFISA-N	412.877	4.605	10	40	HJCB	
COc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1	35646525	XTRRVBRECYHIDK-UNOMPAQXSA-N	421.434	4.946	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(F)cc2)cc1	408764752	JVVKOJXOIHOUFQ-KGENOOAVSA-N	401.397	4.877	10	40	HJCB	
O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccc2c(c1)OCCO2)CO3	2124673	ZMHRRPMVNZHGQK-UHFFFAOYSA-N	413.429	4.588	10	40	HJCB	biogenic
COc1ccc2c(c1)N(C)/C(=C1/SC(=S)N(c3cccc(C)c3)C1=O)S2	4105870	BCUQRQROAKWVOR-VLGSPTGOSA-N	400.550	4.780	10	40	HJCB	
Cc1cc(C(=O)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccc(F)cc1	6781064	DBEGITNLNRKGMH-UHFFFAOYSA-N	415.262	4.817	10	40	HJCB	
O=C(c1cccnc1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1O	13147968	MZCFEFNCCOWPOZ-IBGZPJMESA-N	422.282	4.541	10	40	HJCB	
Cc1ccc(/C=C2/SC(=S)N(NC(=O)C34CC5CC(CC(C5)C3)C4)C2=O)s1	110422703	ZPKMPRWSANKUKB-FRKPEAEDSA-N	418.609	4.505	10	40	HJCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1	222988269	GRZMJXVVOOOQPW-GOTSBHOMSA-N	420.582	4.962	10	40	HJCB	
COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c(OC)c1	260737496	KVDHBTAFDZSPHK-IRXDYDNUSA-N	413.587	4.988	10	40	HJCB	
O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/Nc1ccc2ccccc2c1	408537597	GDHBYAHVFJOXRF-RCCKNPSSSA-N	407.429	4.572	10	40	HJCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1C	408859012	VAZLXZIWPZSATO-XDHOZWIPSA-N	420.852	4.883	10	40	HJCB	
Cc1cc(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)o2)c(C)n1-c1ccccc1	6039956	GHNJBIRPDUNDJT-INIZCTEOSA-N	404.495	4.903	10	40	HJCB	
Cc1cc(C)c(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)c(C)c1	6059906	YFEMSMFVTJCGEU-OQLLNIDSSA-N	402.566	4.513	10	40	HJCB	
CCCn1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)c2ccccc21	33331308	DYMMTTVQGCODTM-PDGQHHTCSA-N	407.470	4.862	10	40	HJCB	
COc1cc([C@@H]2CC(c3ccc(O)cc3)=NN2C(C)=O)ccc1OCc1ccccc1	4539058	CYXBJDMGVOACIB-QHCPKHFHSA-N	416.477	4.677	10	40	HJCB	
COc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1O	9233638	CBCQABUJJNSGMJ-OVCLIPMQSA-N	422.325	4.569	10	40	HJCB	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1cc(-c2ccco2)on1	27787034	YQISLVPLLHMQFL-UHFFFAOYSA-N	409.467	4.882	10	40	HJCB	
COc1ccc(CN2C(=O)/C(=C/C=C/c3ccc(N(C)C)cc3)SC2=S)cc1	32109973	JFKXXPOCUHAYDA-ZZLIIEFLSA-N	410.564	4.719	10	40	HJCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1cccs1	112288155	WBWXIVPBIAAXGP-RGEXLXHISA-N	410.568	4.967	10	40	HJCB	
CCOc1cc(N2CCCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21	260786475	XKHXWAPNRHRMQO-NPFVIJTESA-N	408.571	4.670	10	40	HJCB	
Oc1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1O[C@@H]2c1ccncc1	9597233	INSFHKDIONCDKT-WIYYLYMNSA-N	422.282	4.792	10	40	HJCB	
O=C(NN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)c1ccc(Cl)cc1	35624248	XCDYJLBAQJLQAF-NTEUORMPSA-N	409.319	4.540	10	40	HJCB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)COC3=O)o1	100725716	CJKNZNISGWCYBR-RGVLZGJSSA-N	402.381	4.562	10	40	HJCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C	222972850	NMZICGJSIYTZSE-YADHBBJMSA-N	419.598	4.965	10	40	HJCB	
Cc1cc(C(=O)[C@@H](C)Sc2cccc[n+]2[O-])c(C)n1-c1ccc(OC(F)F)cc1	3348442	NSVPSLPGJSPFCY-OAHLLOKOSA-N	418.465	4.692	10	40	HJCB	
CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCc1ccccc1	4671950	QRFJAYNZZJELSU-MHWRWJLKSA-N	405.928	4.807	10	40	HJCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)N1CCCCCC1	5370725	GWGSSSGYCIUGTM-ZPHPHTNESA-N	416.612	4.851	10	40	HJCB	
Cc1cc(C(=O)COC(=O)c2nc(Cl)ccc2Cl)c(C)n1-c1cccc(F)c1	9162467	WSYMFFVUUDJHMV-UHFFFAOYSA-N	421.255	4.975	10	40	HJCB	
COc1cc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)ccc1O	10215500	RNSMZTZHSGGJRT-PGRDOPGGSA-N	407.857	4.692	10	40	HJCB	
COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(Br)cc3)C2=O)cc1	112125068	UDQQDZDVTHGLEY-PDGQHHTCSA-N	400.276	4.566	10	40	HJCB	
Cc1ccc(CN2C(=O)N/C(=C\c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C)C2=O)cc1	208221991	DQFSJDBKDDPOCP-WBRURWICSA-N	403.526	4.810	10	40	HJCB	
C[C@@H](NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(N2CCCCC2)cc1	225813848	JJVREANJIIGOCW-MRXNPFEDSA-N	406.448	4.952	10	40	HJCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1	408996614	JHOVADRGLREEJK-XLNRJJMWSA-N	403.522	4.899	10	40	HJCB	
COc1ccc(C)cc1C(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1	906929	SUOWHIHEIKJXAO-UHFFFAOYSA-N	407.451	4.684	10	40	HJCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c1C	5489104	HWNVGLPTIRYPFR-KKVJOTPGSA-N	419.554	4.986	10	40	HJCB	
O=C1N=C(O)/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N1	9090019	YJUQAXWTVZEZFA-UHFFFAOYSA-N	414.248	4.586	10	40	HJCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OC	58602514	RYGLVJICDHGBOD-PDGQHHTCSA-N	401.509	4.508	10	40	HJCB	
COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C1=O	409242510	VJLTYLBBJPJBDL-LDADJPATSA-N	404.919	4.820	10	40	HJCB	
CCOc1ccc(-n2c(C)cc(C(=O)CSc3nnc4ccccn34)c2C)cc1	952914	JJDNWSQHRJKDMN-UHFFFAOYSA-N	406.511	4.511	10	40	HJCB	
CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S	7813358	LFJCUSUUDNNXSL-KNGSKEOJSA-N	405.472	4.540	10	40	HJCB	
CC(C)[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	10906904	SJVWCZCFPHDBJH-JOCHJYFZSA-N	400.950	4.575	10	40	HJCB	
CCCCOc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1	12062798	KVYYMWMQSDXWDH-QFIPXVFZSA-N	410.558	4.753	10	40	HJCB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@@H]21	32121336	XBYNYXOFLODSKE-VFVRVIDISA-N	401.806	4.992	10	40	HJCB	
O=S(=O)(Nc1ccccn1)c1ccc(/N=N\c2ccc(O)c3ncccc23)cc1	100680873	IOROHHFNXSCMPV-VHXPQNKSSA-N	405.439	4.552	10	40	HJCB	
CCN(CC)c1ccc(/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1	4181923	ZVCKZDBRKSRQPF-FPBAGDOUSA-N	403.570	4.868	10	40	HJCB	
N=C1/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(c3cccs3)=NN12	5046862	UCSSNOPBOJCCTI-YMGOLSLPSA-N	404.476	4.676	10	40	HJCB	
COc1cccc(-n2c(C)cc(C(=O)Nc3ccc(NC(=O)C4CC4)cc3)c2C)c1	32796584	OXRGODUCRZYVLQ-UHFFFAOYSA-N	403.482	4.704	10	40	HJCB	
COc1ccc(NC(=S)NCc2cc3c4c(c2)CCCN4CCC3)cc1Cl	4622967	YNBFRFZVMANMRP-UHFFFAOYSA-N	401.963	4.534	10	40	HJCB	
C[C@@H](Nc1ccc(F)c(Cl)c1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	14356657	CGGJOIVVLCAGCW-GFCCVEGCSA-N	422.843	4.694	10	40	HJCB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1C	106953516	ZKWKYJYTJVJLIY-MTJSOVHGSA-N	419.937	4.826	10	40	HJCB	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@H](C)Oc3cccc4c3CCCC4)cc2)C1	260800695	VBAMVBHJHFYKHS-PMACEKPBSA-N	406.570	4.885	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1	408891923	FKPXSULFYZORIP-PDGQHHTCSA-N	412.829	4.516	10	40	HJCB	
CCCN1C(=O)/C(=C\c2ccccc2O[C@H](C)CC)C(=O)N(c2ccccc2)C1=S	409023071	CNWAXXLVQADOEC-PBEQFFAXSA-N	422.550	4.818	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(Oc2nc(Cl)ncc2F)c1	409065884	VCJDCHBKOOWNKQ-BOPFTXTBSA-N	408.820	4.868	10	40	HJCB	
CCOc1ccc(NC2=NC(=O)/C(=C/c3cc(Cl)c(O)c(OC)c3)S2)cc1	5809092	LOXFKSOAUXKBQT-YBEGLDIGSA-N	404.875	4.535	10	40	HJCB	
CC(C)Oc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	409350616	RVMYUUOZZCLMKD-GZTJUZNOSA-N	400.481	4.788	10	40	HJCB	
O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(F)c(Cl)c1	1862812	DQMQTMMBJXPHFV-GDNBJRDFSA-N	424.906	4.692	10	40	HJCB	
CCCn1cc(/C=C2\C(=O)N=C(O)N(c3ccccc3Cl)C2=O)c2ccccc21	2399201	QTDSJRZLQVGDGJ-FOWTUZBSSA-N	407.857	4.576	10	40	HJCB	
Cc1cccc(NC(=O)CCN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c1	5370834	ORTRTMZCBBNWBR-RQYXHQRCSA-N	408.548	4.781	10	40	HJCB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)c(C)c2)c1O	95276487	QUVSUCUDIOQGDV-NDENLUEZSA-N	420.900	4.963	10	40	HJCB	
COc1cc(N2CCCCC2)ccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21	222595408	AIKKHGIMPAMBMI-USCONSEESA-N	408.571	4.670	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(OC)cc1OC	408990574	XLKUVBWYBOBEEL-BKUYFWCQSA-N	421.493	4.704	10	40	HJCB	
O=C1C(=C/C=C/c2ccco2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	2282716	MSISBEMJLBVIGA-NTUHNPAUSA-N	400.459	4.584	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1OC	16676507	ZXQWJJBCMJHXSW-RNEAKCBISA-N	415.536	4.675	10	40	HJCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(OC)c3)N21	222679933	GAFCFUAEPZYHAF-ZPMCFJSWSA-N	408.571	4.670	10	40	HJCB	
S=C(NCCCN1CCCc2ccccc21)Nc1cccc(Br)c1	225744986	DMIMHKLPWISEGR-UHFFFAOYSA-N	404.377	4.578	10	40	HJCB	
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2cccc(SC)c2)C1=O	409339481	ITZSJEIIZBKCJA-CXUHLZMHSA-N	418.521	4.731	10	40	HJCB	
CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1	5215563	ZUHWZCMRAKTEAW-IKTSRZDXSA-N	405.527	4.740	10	40	HJCB	
CCCc1cc(=O)[nH]c(SCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)n1	6313747	QYVBWYDSPQJIQN-UHFFFAOYSA-N	409.555	4.722	10	40	HJCB	
Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccccc1F	35127861	RSYNERFDCXVPQV-IQGAPNPZSA-N	409.490	4.508	10	40	HJCB	
COc1ccccc1N1C(=O)N=C(O)/C(=C/c2ccc3c(c2)Cc2ccccc2-3)C1=O	8837629	HCEOZBFFTUWIRJ-MOSHPQCFSA-N	410.429	4.773	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccccc2OC)cc1	408841299	GBGMSPHZHJVNFQ-RCCKNPSSSA-N	402.425	4.677	10	40	HJCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=S)c1cccs1	1411661	AZFHWLRNWSXQIX-LFIBNONCSA-N	412.517	4.554	10	40	HJCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCCc3cccs3)C2=O)cc1	17091164	PJROUCQBCRIGBZ-XLNRJJMWSA-N	417.534	4.614	10	40	HJCB	
CC(C)n1nc(O)c2c(-c3ccc(F)cc3F)c3oc4c(O)c(O)ccc4c3nc21	95478095	RZCPUMMVEADJRX-UHFFFAOYSA-N	411.364	4.974	10	40	HJCB	
CC(C)(C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl	108120010	YMCLJHOVAMORAV-ZROIWOOFSA-N	405.281	4.632	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc(OC)c1O	409340097	QIWOLEXVEFQXTN-CXUHLZMHSA-N	419.549	4.537	10	40	HJCB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)o1	3652633	UQMQTLWIOGHDEF-WOJGMQOQSA-N	422.824	4.704	10	40	HJCB	
COc1ccc(CNC(=O)[C@@H](C)Nc2ccc(Nc3ccccc3OC)cc2)cc1	5694358	YZTMOFKSCCBCMK-QGZVFWFLSA-N	405.498	4.564	10	40	HJCB	
COc1ccc(F)cc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1	10302085	BINMORUGQUBNGE-UHFFFAOYSA-N	419.861	4.520	10	40	HJCB	
Cc1c(Cl)cccc1NC(=S)/C=C1\NCCc2cc3c(cc21)OCCCO3	101374864	LVZJVMQCKLGNKX-PDGQHHTCSA-N	400.931	4.736	10	40	HJCB	
CCCn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)c2ccccc21	9357072	AJDIRWCUBAPDCX-KGENOOAVSA-N	415.493	4.841	10	40	HJCB	
CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1OC	35039411	CGDABRFQAVTXPC-XDHOZWIPSA-N	413.520	4.702	10	40	HJCB	
COc1ccc(N2CCN(C(=O)Nc3ccccc3Cc3ccccc3)CC2)cc1	40098929	CARQIIJIJGKMIT-UHFFFAOYSA-N	401.510	4.640	10	40	HJCB	
COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1	223253876	PCYJXBVQYTYYOL-UHFFFAOYSA-N	415.323	4.926	10	40	HJCB	
CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1N1CCCC1	260783889	ULLNUJHLWSUSCZ-NPFVIJTESA-N	408.571	4.670	10	40	HJCB	
O=C1/C(=C\c2cccc(F)c2)SC(=S)N1C(=O)c1ccccc1Br	408718873	AWZNBIPIXVPASF-NTEUORMPSA-N	422.300	4.630	10	40	HJCB	
Cc1ccc(OCCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)c(C)c1	33390843	KXPUMOUMIAWEDD-ZHZULCJRSA-N	413.564	4.982	10	40	HJCB	
Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1C1CCCCC1	59138726	XZFRPHPOHZPEPQ-RCCKNPSSSA-N	405.498	4.619	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)C(=O)N=C2S1	5159530	YVOUBYNPSLONOP-ZXTIBJMCSA-N	421.526	4.522	10	40	HJCB	
CCc1cccc2c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c[nH]c12	7166249	VSCPMWQXCJHKHK-WJDWOHSUSA-N	402.541	4.577	10	40	HJCB	
Cc1ccc(-n2c(C)cc(C(=O)Cn3cnc4sc(C)c(C)c4c3=O)c2C)cc1F	12563404	DOLDKMFMMNFNHA-UHFFFAOYSA-N	423.513	4.813	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Cl)c1Cl	32181165	WSWSPXOTPNZZIB-WJDWOHSUSA-N	418.276	4.879	10	40	HJCB	
COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O	35147083	GYALALNNFWTMLD-NVNXTCNLSA-N	406.872	4.663	10	40	HJCB	
CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccc(-n4cnnc4)cc3Cl)cc2)CC1	36752720	BGEDFIAUXBPPCR-QGZVFWFLSA-N	423.948	4.648	10	40	HJCB	
COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccc(F)cc4)C3=O)n2)cc1	100510861	SGGLOCKPIPARBG-FTGFMQHASA-N	409.446	4.833	10	40	HJCB	
CCCOc1ccccc1/C=C1/SC(N2CCN(c3cccc(C)c3)CC2)=NC1=O	1801474	LRQFJTYCCHWSHU-OQKWZONESA-N	421.566	4.576	10	40	HJCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)NC2=O)c(C)c1	2364673	JFKYTWMSHIFSHJ-UNOMPAQXSA-N	421.547	4.735	10	40	HJCB	
CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S	12274223	MUZAHBYNLRNZDV-QAEAHILHSA-N	419.499	4.930	10	40	HJCB	
COc1ccc(/C=C2/SC(=S)N(CNc3cc(Cl)ccc3C)C2=O)cc1	16347713	YIVMUJDTRZCMRT-RQZCQDPDSA-N	404.944	4.928	10	40	HJCB	
CCCCN1CCc2cc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=S)N=C3O)ccc21	33928681	HBOLJQXOAWWLMS-RGEXLXHISA-N	423.513	4.660	10	40	HJCB	
COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1	225420343	MCUMTZRAGQQQFJ-VQIMIIECSA-N	416.587	4.588	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)cc1Cl	1416316	ATZHMIBAWGVRMA-CXUHLZMHSA-N	421.927	4.772	10	40	HJCB	
COc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21	169681518	VPLWSDJGHSBFKG-AVRDEDQJSA-N	407.857	4.692	10	40	HJCB	
Cc1cccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(F)cc2)c1	408763430	DUMZKOBDEFCXME-UDWIEESQSA-N	400.409	4.697	10	40	HJCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C1CCCC1	408772473	LWOFXGAYPOIBCO-XDHOZWIPSA-N	411.889	4.540	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cccc(OC)c1OC	634426	HCJSLZDMGOLBKR-ZHZULCJRSA-N	421.493	4.704	10	40	HJCB	
CCOc1ccc(/C=C2\C(=O)N([C@@H](C)c3ccccc3)C(C)=C2C(=O)OC)cc1OC	6964044	ZSFFKQRIAZTNAP-IEOAWGNMSA-N	421.493	4.528	10	40	HJCB	
Cc1cccc(COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Cl)c1	33784651	HTUBIANPYCHRJX-MOSHPQCFSA-N	418.880	4.689	10	40	HJCB	
COc1ccc(/C=C2/SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)cc1OC	7276011	ANKLWMXYQGVQPQ-CXUHLZMHSA-N	408.401	4.805	10	40	HJCB	
CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Sc2ccccc2)SC1=S	8295286	MHSWPSUZIMOHCU-LFIBNONCSA-N	402.522	4.967	10	40	HJCB	
CCN(CC)c1ccc(CN(C(=O)COc2ccc(C)cc2)c2ccccn2)cc1	28291383	RDDDYRVDLITLFJ-UHFFFAOYSA-N	403.526	4.848	10	40	HJCB	
Cc1c(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)c2ccccc2n1C	409346429	KNUCAQWJFQVBNC-MOSHPQCFSA-N	407.564	4.959	10	40	HJCB	
COc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21	6721762	FASNEEZZSIEOSE-GCJKJVERSA-N	407.857	4.692	10	40	HJCB	
C[C@@H]1CCC[C@@H](C)N1Cc1c(O)ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc12	20358372	RSYYLZFWVUFPHU-HZPDHXFCSA-N	421.493	4.700	10	40	HJCB	biogenic
CC1=NN(c2ccccc2C)C(=O)/C1=C/c1c(C)nn(-c2cccc([N+](=O)[O-])c2)c1C	408758207	WVMGKGUWBOUOFW-FYJGNVAPSA-N	415.453	4.512	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1OC(F)F	409344531	HECBJBOVNOBJER-OVCLIPMQSA-N	411.426	4.842	10	40	HJCB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(C(C)C)C3=O)c2C)cc1	1018457	FZVMBGJPGHVCGJ-XDHOZWIPSA-N	412.511	4.716	10	40	HJCB	
O=C1N=C(Nc2ccc(I)cc2)S/C1=C\C=C\c1ccco1	8821945	NFRPLYCYOREVRY-NQDFZQDQSA-N	422.247	4.523	10	40	HJCB	
COc1ccc(N2COc3ccc4c(=O)c(-c5ccccc5OC)coc4c3C2)cc1	9422386	MQJCYJOIIWNUQV-UHFFFAOYSA-N	415.445	4.834	10	40	HJCB	biogenic
O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)NCc1ccc2c(c1)OCO2	17094161	ZYXKAKQIQMHWGX-UHFFFAOYSA-N	424.909	4.786	10	40	HJCB	
Nc1c(C(=O)Oc2ccccc2)sc2nc3c(cc12)CN(Cc1ccccc1)CC3	19683203	ZTPMYBANOBHNLA-UHFFFAOYSA-N	415.518	4.656	10	40	HJCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2Cl)N1c1ccc(O)cc1	408763851	PGHOKCBFOOPLPG-DEDYPNTBSA-N	419.824	4.788	10	40	HJCB	
CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1	2402151	NXCNJYJMKVVRMB-GLNJVZSPSA-N	423.567	4.651	10	40	HJCB	
O=C(Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)O)N2)c1ccc(Cl)cc1Cl	4331717	PREIJVXDCSNASS-ZJNRKIDTSA-N	404.249	4.751	10	40	HJCB	
Cn1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c1	35648613	VWARHNYYVSHZSK-VKAVYKQESA-N	408.589	4.822	10	40	HJCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C(=O)N=C2S1	41083485	KDMJIZLVYVGMOY-HLLBZCHMSA-N	423.567	4.732	10	40	HJCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3OC)N21	222677257	JGJQYFASUVSPRI-URZJWIJPSA-N	408.571	4.670	10	40	HJCB	
COc1cccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4cccc(C)c4)C3=O)c2C)c1	409230452	DNHCJRKBAIIMCC-QRVIBDJDSA-N	415.493	4.504	10	40	HJCB	
CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N=C2S1	33858347	AHXRDEWTAMTLJA-IKTSRZDXSA-N	405.527	4.740	10	40	HJCB	
COc1ccc(CCN2C(=O)/C(=C/c3ccc4ncccc4c3)SC2=S)cc1	54360792	WLLDFMHTNQSWEY-ZHZULCJRSA-N	406.532	4.687	10	40	HJCB	
Cc1ccc(NC(=O)CN2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)c(C)c1	16739196	IARQEQDAJDPEFY-AVSIYSEJSA-N	408.548	4.700	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(O)=NC2=S)c(C)c1	59138126	FMZYAWIINGXJAB-GHRIWEEISA-N	409.511	4.558	10	40	HJCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1	96504988	UQESAYIYLMHHMA-LFIBNONCSA-N	419.369	4.921	10	40	HJCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)nc1	222838178	UZSTYKZLXNPFRB-FCHUYYIVSA-N	405.571	4.573	10	40	HJCB	
CC(=O)c1cc(Cl)ccc1OC[C@H](O)CNc1ccccc1C(=O)c1ccccc1	1585941	ANDPJMPCOIMXCR-LJQANCHMSA-N	423.896	4.625	10	40	HJCB	
CC1CCN(C(=O)CCCN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)CC1	5409321	YGFZIXZAFYYZPL-LGMDPLHJSA-N	423.003	4.580	10	40	HJCB	
CCOc1ccc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)N=C2O)cc1	9044037	QFDPJJVKNUPVJL-YBEGLDIGSA-N	404.344	4.611	10	40	HJCB	
CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1cc([N+](=O)[O-])ccc1C	17087673	DOGHBEVHCBBFJQ-PDGQHHTCSA-N	407.455	4.622	10	40	HJCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)cc1	222943740	KXAOTCUFWJOKLL-XZOQPEGZSA-N	420.582	4.818	10	40	HJCB	
O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)Nc1ccc(F)cc1	924812	DKOJXZKMYWACBN-LJQANCHMSA-N	411.502	4.599	10	40	HJCB	
COc1ccccc1[C@H](CCN(Cc1ccc(N(C)C)cc1)C(C)=O)c1ccco1	2265245	IDMDCQJCMQHUCH-QHCPKHFHSA-N	406.526	4.925	10	40	HJCB	
CCCCN1CCc2cc(/C=C3/C(=O)N(Cc4ccccc4)C(=S)N=C3O)ccc21	2591480	WUYCSBMJBGBAAY-HMMYKYKNSA-N	419.550	4.516	10	40	HJCB	
O=C(NN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)c1ccccc1Cl	13573575	OTFJHRKKWAXNFO-ZROIWOOFSA-N	409.319	4.540	10	40	HJCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(F)cc3)C2=O)cc1	408752737	GKEPSJYAWSOSQX-KGENOOAVSA-N	418.399	4.586	10	40	HJCB	
CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)SC1=S	409332897	SRLYNHVJTOSDQQ-DHDCSXOGSA-N	407.900	4.608	10	40	HJCB	
CCOc1c(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cccc1OC	409347386	PQKUUNFBTHYNNK-QGOAFFKASA-N	414.552	4.566	10	40	HJCB	
Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1-c1ccc2c(c1)CCC2	7148989	JVZPDEGUYRIKRV-UHFFFAOYSA-N	402.523	4.601	10	40	HJCB	
Oc1ccccc1[C@@H]1CC(c2ccccc2)=NC2(CCN(Cc3ccccc3)CC2)N1	80324980	IWKRSAZVEIOCSU-VWLOTQADSA-N	411.549	4.908	10	40	HJCB	
O=S(=O)(Nc1nccs1)c1ccc(/N=N\c2ccc(O)c3ncccc23)cc1	104090586	IQEOBFBZYOOSSI-DQRAZIAOSA-N	411.468	4.613	10	40	HJCB	
CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)C1=O	409013743	NXZKBUMJFNUQJO-MDBUFAAASA-N	412.511	4.936	10	40	HJCB	
Cc1cccc(C)c1NC(=O)[C@@H](c1ccc(N(C)C)cc1)N1C(=O)C[C@@H]1c1ccco1	1050280	CUDHQDOBFYDTCA-HYBUGGRVSA-N	417.509	4.616	10	40	HJCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cccn2-c2ccc3ccccc3c2)C1=O	9265354	NLCSUXVGAKCSIK-JWGURIENSA-N	421.456	4.605	10	40	HJCB	
N=C1/C(=C/c2ccc(OCc3ccccc3F)c(Cl)c2)C(=O)N=C2SC=CN12	20032221	KOVMZRABUUUURT-GQFJHEMJSA-N	413.861	4.835	10	40	HJCB	
COc1ccc(-c2c(C)oc3c(CN4CCC[C@@H](C)C4)c(O)ccc3c2=O)cc1OC	20412480	KMVXTAKCDMFHMQ-OAHLLOKOSA-N	423.509	4.723	10	40	HJCB	biogenic
COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1	225417454	SQMPAGXDEYABJC-UHFFFAOYSA-N	417.962	4.604	10	40	HJCB	
CCCCOc1ccc(N2CCn3c(nc4cc(NC(=O)C(C)C)ccc43)C2)cc1	13689879	ZDJGTYPOOUTWOD-UHFFFAOYSA-N	406.530	4.830	10	40	HJCB	
CCCCCCc1c(C)c2ccc(O)c(CN[C@H](C(=O)O)[C@H](C)CC)c2oc1=O	11866847	YYECOTLRINGOBL-VLIAUNLRSA-N	403.519	4.519	10	40	HJCB	biogenic
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccc(C(=O)O)cc1	100510874	DHEKHMMWDBHFOK-IUBFCHALSA-N	419.466	4.692	10	40	HJCB	
Cc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)c(C)n1-c1ccc(Cl)c(Cl)c1	409331877	PEGGGQLMLCSKOD-ZZXKWVIFSA-N	421.240	4.681	10	40	HJCB	
COc1ccc(N2CCN(c3ccc(NC(=O)Oc4ccccc4)cc3)CC2)cc1	626955	NTGBUUXKGAZMSE-UHFFFAOYSA-N	403.482	4.633	10	40	HJCB	in-vitro
COc1ccc(N2CCN(C(=S)c3cccc(OCc4ccccc4)c3)CC2)cc1	4622720	TWPMBYQTUQUUCC-UHFFFAOYSA-N	418.562	4.772	10	40	HJCB	
Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)NCc1ccccc1Cl	7423468	ZURQNTVESXZNKZ-UHFFFAOYSA-N	406.338	4.802	10	40	HJCB	
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)c(OC)c3)N21	222679991	GAFCFUAEPZYHAF-MTNREXPMSA-N	408.571	4.670	10	40	HJCB	
O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(-c2cccc(Br)c2)o1	857524	SSFWHSBRNMYDMF-UHFFFAOYSA-N	417.255	4.853	10	40	HJCB	
CCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1cccc(C(C)=O)c1	1355670	KFBLJCUIDBPKLD-UHFFFAOYSA-N	423.538	4.902	10	40	HJCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1	3625210	WHXIQBJNBZBCKK-WJDWOHSUSA-N	419.369	4.921	10	40	HJCB	
CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1ccc(Cl)cc1	13602789	PBVDNQUUKYBSRP-YVLHZVERSA-N	405.928	4.807	10	40	HJCB	
Oc1ccccc1C1=NN(c2nc(-c3ccc(F)cc3)cs2)[C@](O)(C(F)(F)F)C1	16949283	JDXHZPHCCGFKOT-GOSISDBHSA-N	423.391	4.520	10	40	HJCB	
O=C1NC(=S)S/C1=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	208631430	HLRQLEPEXNJKEA-AUWJEWJLSA-N	410.303	4.701	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(OC)cc3)C2=O)cc1	408765653	ZEXMZBSHOQZTET-PXLXIMEGSA-N	402.425	4.677	10	40	HJCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)C(=O)NC2=S)c1	408771467	GPZMFZVLZVLNIG-FYJGNVAPSA-N	421.566	4.668	10	40	HJCB	
CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cc(Cl)c(OC)cc1OC)CO3	2117050	QRWDEIWEAOXTTQ-UHFFFAOYSA-N	415.873	4.691	10	40	HJCB	biogenic
CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)SC1=S	59418108	YHYAORPQRNWIJA-WOJGMQOQSA-N	403.500	4.634	10	40	HJCB	
O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(I)cc1	408741736	KWCTXWNIEMUREF-UKTHLTGXSA-N	408.622	4.926	10	40	HJCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)c1	2349019	YLLGLRCVMSFSQO-UYRXBGFRSA-N	421.547	4.769	10	40	HJCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C	222966344	UAPMDUOAHPRUHK-PKTZIBPZSA-N	420.582	4.967	10	40	HJCB	
CC(=O)N(C)c1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccccc2)cc1	1088786	MMKJJWPIZXLEKX-JJIBRWJFSA-N	409.489	4.812	10	40	HJCB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1c2ccccc2cc2ccccc12	6283479	YQDNPHWFPUCIOB-HYARGMPZSA-N	410.404	4.799	10	40	HJCB	
Cc1cc2oc(=O)c(C)c(C)c2c(O)c1C1=NN[C@@H](c2c(F)cccc2Cl)C1	12389710	GGHISRKTUXYPEV-OAHLLOKOSA-N	400.837	4.655	10	40	HJCB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)cc(C)c1Br	106692756	ZVZWZVOITUOWIG-NVNXTCNLSA-N	405.317	4.797	10	40	HJCB	
CN(C)CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S	7737319	HMEPPDYUBBKUQE-SFQUDFHCSA-N	406.960	4.753	10	40	HJCB	
O=C1/C(=C\Nc2cc(C(F)(F)F)ccc2Cl)SC(=S)N1C[C@H]1CCCO1	8836380	KRHHIVVHIGXCFT-SRMXYGTFSA-N	422.881	4.651	10	40	HJCB	
C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	16733910	WZIDBRLQBSPEKV-NLLJVSSUSA-N	423.515	4.524	10	40	HJCB	
CCN(CC)c1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1	106787592	XXTLJEVDVBFBBF-PGMHBOJBSA-N	410.539	4.957	10	40	HJCB	
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccn4)c3C)N21	222681813	OVWLCDKNDGWDNV-BULFRSBZSA-N	403.555	4.864	10	40	HJCB	
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)C3(c4ccccc4)CCOCC3)cc2)C1	225809564	BUJADCVLZRGEIV-NHCUHLMSSA-N	406.570	4.849	10	40	HJCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1	2306616	WLNAAQCSGIJNLH-SFQUDFHCSA-N	424.865	4.751	10	40	HJCB	
Cc1ccccc1N1CCN(C(=S)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1	4059293	PLTYNHYSKIPBNU-UHFFFAOYSA-N	407.495	4.661	10	40	HJCB	
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCCc4ccccc43)C2=O)cc1	13810133	FOSNVMSNMXPCFU-HKWRFOASSA-N	422.575	4.566	10	40	HJCB	
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1Cl	112286178	YJNMTCDKRJSSGI-UNOMPAQXSA-N	418.280	4.645	10	40	HJCB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	409058926	ZRXANIDOVHLATH-XKZIYDEJSA-N	424.516	4.952	10	40	HJCB	
Cc1ccc(N2C(=O)C(=Cc3cccs3)C(=O)N(c3ccc(C)cc3)C2=O)cc1	2532810	OFMPMUAJQWFKKD-UHFFFAOYSA-N	402.475	4.948	10	40	HJCB	
Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2ccc(N3CCOCC3)cc2)cc1	7883959	KEFOOHPXMNHDBT-VWLOTQADSA-N	413.521	4.598	10	40	HJCB	
COc1ccc(-n2c(C)cc(-c3csc(NC(=O)c4cc(C)on4)n3)c2C)cc1	22919682	GPIYZXZNFKWPJC-UHFFFAOYSA-N	408.483	4.775	10	40	HJCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(F)cc3)C2=O)cc1	408757577	AFMPPTZQGVACDN-KGENOOAVSA-N	418.399	4.586	10	40	HJCB	
CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1	4321418	NZNKFPFRPATNAY-CXUHLZMHSA-N	412.449	4.530	10	40	HJCB	
CCN1C(=O)/C(=C\c2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)SC1=S	5865535	BVWBFYBYFJDUFN-MHWRWJLKSA-N	404.444	4.747	10	40	HJCB	
CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	7080091	ZPKSKKUXDGJEGH-INIZCTEOSA-N	413.473	4.993	10	40	HJCB	
COc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NCc4ccc(N(C)C)cc4)C3)c2C)cc1	15673882	PSQJCJHBEDOKFE-FGZHOGPDSA-N	416.569	4.766	10	40	HJCB	biogenic,in-vitro
CCCN1C(=O)N/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O	409247336	MXXYOLCOZOWGAE-DEDYPNTBSA-N	407.901	4.954	10	40	HJCB	
O=S(=O)(O)c1ccc(/N=N/c2c(O)ccc3cc(Br)ccc23)cc1	4783242	GCWVGAVDJVCURG-VHEBQXMUSA-N	407.245	4.970	10	40	HJCB	
CCn1c(-c2ccc(F)cc2)cnc1SCC(=O)NCCc1c[nH]c2ccccc12	4850404	DOUFWOJGMQDBFZ-UHFFFAOYSA-N	422.529	4.641	10	40	HJCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C)o2)cc1	15012474	WLDKRGVMSCIALM-RCCKNPSSSA-N	400.434	4.929	10	40	HJCB	
CCOc1cc(/C=C2/SC(Nc3ccccc3C(F)(F)F)=NC2=O)ccc1O	17307165	APEYRHRAPKZLSA-MHWRWJLKSA-N	408.401	4.892	10	40	HJCB	
CCCCN(CCO)c1ccc(/N=N\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1	105023926	JLQINWDDQUELHA-MRCUWXFGSA-N	401.423	4.826	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(O)cc3)C2=O)c(OC)c1	408762661	LRSXQZCGQAJDQD-HYARGMPZSA-N	414.461	4.552	10	40	HJCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NC2CCCCC2)cc1	17091883	SJJAYALVXXNTSL-QJOMJCCJSA-N	419.525	4.651	10	40	HJCB	
O=C(CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccccc1	17373737	FFWQRTPAHGJFSO-GHRIWEEISA-N	416.955	4.960	10	40	HJCB	
CCCCCC1=NN2C(=N)/C(=C/c3cccn3-c3cccc(F)c3)C(=O)N=C2S1	41083042	UFBHOQIFQUYGNQ-JSIBOBQWSA-N	409.490	4.816	10	40	HJCB	
Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2ccc(C)c(O)c2O)c2ccccc2)c1	58177745	ZHMUFHIKRLAABE-QFIPXVFZSA-N	405.450	4.560	10	40	HJCB	
Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(O)cc1	409233007	CTDYWXWSUCYZMQ-UDWIEESQSA-N	407.857	4.550	10	40	HJCB	
CCOc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1	409249683	NXICDDKYMYHUCT-HZHRSRAPSA-N	415.493	4.586	10	40	HJCB	
CCCN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)SC1=S	409331851	OUOLPZSOHCYMNE-PDGQHHTCSA-N	414.508	4.785	10	40	HJCB	
C[C@@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)N(C)c3ccccc32)c2ccccc21	3646664	MGYGLRGIFUXFOT-GNFOSXPUSA-N	413.521	4.559	10	40	HJCB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1c(C)nn(-c2cccc(Cl)c2)c1O	97944354	BXJICSPKQSEPNG-CIAFOILYSA-N	420.900	4.963	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)C1	260466354	RFNZLCJXMVFQAW-LSDHHAIUSA-N	401.894	4.976	10	40	HJCB	
CN1CCCc2cc([C@H](CNC(=O)C34CC5CC(CC(C5)C3)C4)N3CCCC3)ccc21	13008212	MXNSDSSOVBONFJ-KSUQMOORSA-N	421.629	4.539	10	40	HJCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)cc1	222943817	KXAOTCUFWJOKLL-GOTSBHOMSA-N	420.582	4.818	10	40	HJCB	
C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	5527797	CVPKOEPKUJWFCJ-ZDUSSCGKSA-N	405.837	4.521	10	40	HJCB	
CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3cc(C)ccc3O)C[C@H]21	10215950	ZTEZAVZXLIUUGT-HYBUGGRVSA-N	401.466	4.737	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(OC(F)F)c(OC)c3)SC2=S)cc1	57546831	UCWKAILPIRDRCG-MHWRWJLKSA-N	423.462	4.711	10	40	HJCB	
COc1cc(N2CCCCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21	260752908	AIKKHGIMPAMBMI-URZJWIJPSA-N	408.571	4.670	10	40	HJCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C4CCCC4)c3C)C2=O)c1C	408782108	VSTFFGSYGKVNTQ-DEDYPNTBSA-N	405.498	4.503	10	40	HJCB	
Cc1cc2nc3s/c(=C\c4cc(C)n(-c5ccccc5F)c4C)c(=O)n3c2cc1C	409392487	MWKZHDUZZZDSSR-UUYOSTAYSA-N	417.509	4.620	10	40	HJCB	
CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(N(CC)CC)cc1	4741595	VIWYPUIBLOZBKC-QFIPXVFZSA-N	404.514	4.735	10	40	HJCB	
CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O	5947682	HUEPYMQNPFKKPS-RIYZIHGNSA-N	406.269	4.723	10	40	HJCB	
COc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1	35646772	WBCZLWZHTNOUPW-UNOMPAQXSA-N	421.434	4.946	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(O)c(OCC)c3)SC2=S)cc1	1245402	KYPXQUPGNMKBPB-PDGQHHTCSA-N	401.509	4.595	10	40	HJCB	
CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1	6274842	OCPICNNLBLAHSH-WCWDXBQESA-N	408.483	4.605	10	40	HJCB	
O=C1/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)SC(=S)N1Cc1ccccc1	9296568	KZSDEJMYQUURRP-CPNJWEJPSA-N	421.503	4.787	10	40	HJCB	
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@@H]21	20705803	YLSNSJRRUMZAMK-FMTVUPSXSA-N	401.806	4.992	10	40	HJCB	
COc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1C(C)C	260572600	HTKYUJCLBVAOMF-SFHVURJKSA-N	416.587	4.533	10	40	HJCB	
O=C(O)c1ccccc1[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@@H]21	409165025	RESDWLSAMPAKRK-FHSNZYRGSA-N	417.246	4.816	10	40	HJCB	
O=C1c2ccccc2C(=O)C1(Nc1ccc(Br)cc1F)c1ccccc1	7000528	OBIRDHCJRBORMF-UHFFFAOYSA-N	410.242	4.975	10	40	HJCB	
COc1cc(Br)cc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c1O	15947571	KIMZEGRPPHVYOX-BCTVWOGZSA-N	423.332	4.779	10	40	HJCB	
COC(=O)c1cc(NC(=S)NCc2ccc(N3CCCCC3)cc2)ccc1Cl	225417395	VJSOFKUESFIABS-UHFFFAOYSA-N	417.962	4.604	10	40	HJCB	
COc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2cccc(C)c2)cc1	408761111	BYAXRYKGXVSNJG-PXLXIMEGSA-N	413.433	4.746	10	40	HJCB	
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)C(=O)NC2=S)c1	409010830	LUDHRETUJIDXNS-XDHOZWIPSA-N	420.465	4.534	10	40	HJCB	
CCCN(CCC)c1ccc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1	4812647	DGBAKXHHIDQNCK-JCMHNJIXSA-N	405.498	4.817	10	40	HJCB	
O=C1Nc2cc(Cl)ccc2/C1=C\c1cn(CC(=O)N2CCCCC2)c2ccccc12	6045781	LRCMVBMKVXJPTQ-UDWIEESQSA-N	419.912	4.800	10	40	HJCB	
COc1ccc(-c2cnc(SCC(=O)N3CCc4ccccc43)n2CC(C)C)cc1	44085799	ITXMGOXBWPXDNR-UHFFFAOYSA-N	421.566	4.896	10	40	HJCB	
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1cccc(C)c1	100525267	YQWIAXFDNXYKDS-CCWVLBSLSA-N	420.454	4.902	10	40	HJCB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\SC(=O)N(C(C)C)C3=O)c2C)c1	32109812	RBEYTAFFRFWFKY-ODLFYWEKSA-N	412.511	4.634	10	40	HJCB	
Cc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)c(C)c1	4536590	MWFHLALIPQSRDK-SFQUDFHCSA-N	400.525	4.517	10	40	HJCB	
COc1cc(OC)c(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc1Br	4746530	PUWSLDOKPQMGOS-NVNXTCNLSA-N	401.256	4.756	10	40	HJCB	
C[C@H](COc1ccccc1)COc1ccc(Cl)cc1/C=C1\SC(=S)NC1=O	12383570	BSPFHQNFSXAHSY-CCOVPTLTSA-N	419.955	4.923	10	40	HJCB	
CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S	10232879	AQEYESZBGLCPIU-MLJKTZRHSA-N	407.900	4.664	10	40	HJCB	
CCOc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)c1C	80346800	IYVWHGYRJFUANE-NTCRLEKGSA-N	421.526	4.522	10	40	HJCB	
CSc1cccc(N2C(=O)/C(=C/c3ccc(NC(C)=O)cc3)SC2=S)c1	409338694	ONIOJZIHBNVOCN-YVLHZVERSA-N	400.550	4.773	10	40	HJCB	
CCCCN(C)Cc1c(O)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12	2132035	FPWUWMIGSYIKSV-UHFFFAOYSA-N	405.450	4.504	10	40	HJCB	biogenic
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2cccnc2)C1=O)=C\c1ccccc1	8833888	WRWDMYCIQDOTIZ-WXEMXXEISA-N	423.563	4.648	10	40	HJCB	
C/C(Nc1cccnc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	103920334	LKHOONOYEDNFGL-HKWRFOASSA-N	411.490	4.828	10	40	HJCB	
O=C(O)c1cccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4)C3=O)o2)c1	214046559	RDCKORQEEXOBHC-XDHOZWIPSA-N	405.431	4.881	10	40	HJCB	
CC(C)Oc1ccccc1/C=C1/SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O	409351272	SXSLFKYMSWMDBA-LICLKQGHSA-N	400.481	4.788	10	40	HJCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)C(=O)NC2=S)c1C	654280	LAFIENBHDFNOGX-DEDYPNTBSA-N	421.566	4.668	10	40	HJCB	
O=C1N=C(O)/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccccc1	1200785	KWOJQDKZJORTAP-XSFVSMFZSA-N	416.408	4.911	10	40	HJCB	
O=S(=O)(Nc1ccccn1)c1ccc(/N=N/c2ccc(O)c3ncccc23)cc1	18206232	IOROHHFNXSCMPV-WCWDXBQESA-N	405.439	4.552	10	40	HJCB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NC(=O)Nc1cccc2ccccc12	102516068	KKTIJSDYOZTASF-UYRXBGFRSA-N	404.857	4.921	10	40	HJCB	
COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1	222831645	OGXCCMJZNRNGEO-PKTZIBPZSA-N	420.582	4.879	10	40	HJCB	
CCOC(=O)c1[nH]c2ccc(Cl)cc2c1/N=N/N1CCN(c2ccccc2)CC1	2261045	IVMWKLJUUAYXEL-OCOZRVBESA-N	411.893	4.819	10	40	HJCB	
O=C1Nc2ccc(S(=O)(=O)Nc3cc(Cl)c(O)c4ccccc34)c3cccc1c23	2497240	PWVPVPJXCKMXDA-UHFFFAOYSA-N	424.865	4.719	10	40	HJCB	
Cc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1	8842988	HKKOKYQLSGKXDO-LDADJPATSA-N	417.377	4.670	10	40	HJCB	
O=C1/C(=C\c2ccc3nccnc3c2)SC(=S)N1c1ccc(F)c(Cl)c1	13693087	WSLIDOPCKUAWOT-LZYBPNLTSA-N	401.875	4.828	10	40	HJCB	
CC1CCN(C(=O)C2=CN(c3cccc(C(C)C)c3)c3ccccc3S2(=O)=O)CC1	21359447	GJKRQRWPWCMEQP-UHFFFAOYSA-N	424.566	4.835	10	40	HJCB	
Oc1cccnc1N[C@H](c1ccc(OC(F)F)cc1)c1ccc2cccnc2c1O	54114290	CYIOQPFKBMXKKE-GOSISDBHSA-N	409.392	4.844	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C(=O)NC2=S)cc1	408762332	JZVQQDPQLQWREG-QGOAFFKASA-N	420.515	4.571	10	40	HJCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(F)cc2)c1	408764533	JCVVCYFDPFNUQH-KGENOOAVSA-N	401.397	4.877	10	40	HJCB	
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(Cl)cc1Cl	943646	GVRROVGWAUFZGQ-PDGQHHTCSA-N	418.349	4.786	10	40	HJCB	
CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccccc3C(=O)O)SC2=S)cc1	5214736	HFLBHEPAHSEKIM-AQTBWJFISA-N	412.536	4.637	10	40	HJCB	
Cc1ccc(OCCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)cc1C	33391834	ISNVKNQOSAQYLH-ZHZULCJRSA-N	413.564	4.982	10	40	HJCB	
COc1ccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2cccc(C)c2)cc1	408840652	CWVXAHLSGFRWLK-RCCKNPSSSA-N	413.433	4.746	10	40	HJCB	
CC(C)c1ccc(N/C=C2/C(=O)NC(=S)N(c3cccc4ccccc34)C2=O)cc1	18166463	VVSJRNDJJDKKOW-ZHZULCJRSA-N	415.518	4.707	10	40	HJCB	
O=C1/C(=C\c2cccc(C(F)(F)F)c2)SC(=S)N1c1ccc2c(c1)OCO2	409343174	GIKDSAHPKMIBJW-VIZOYTHASA-N	409.410	4.840	10	40	HJCB	
C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2ccccc21	4168747	YVQULGCTJAIVKM-BNKSZWPGSA-N	413.521	4.924	10	40	HJCB	
CCOc1cccc(/C=C2\SC(=S)N(c3cc(OC)ccc3OC)C2=O)c1	27563833	GWVMFMKGNMSFFE-WQRHYEAKSA-N	401.509	4.508	10	40	HJCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccc1F	3168584	MYIXCHNTOHJFLB-WJDWOHSUSA-N	420.918	4.709	10	40	HJCB	
COc1ccc(/C=C/C=C2/C(=O)N(c3c(F)c(F)c(C)c(F)c3F)N=C2C)cc1	8299654	XUJDLMVIZGWRIA-VCXFDYNHSA-N	404.363	4.922	10	40	HJCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2ncccc2C)cc1	103922141	OCZAVVATGVWXTC-PGMHBOJBSA-N	416.456	4.675	10	40	HJCB	
C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1	219683204	OGEMXXSMQYWUTR-INIZCTEOSA-N	417.347	4.523	10	40	HJCB	
CCOc1cc(C)c(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1C(C)C	409135980	WZYSNHLEAYNBDA-MOSHPQCFSA-N	408.523	4.917	10	40	HJCB	
O=C1/C(=C/c2ccc(N3CCCCCC3)cc2)C(O)=NC(=S)N1c1ccccc1F	2423693	PDCYCBGUYLOKRU-OBGWFSINSA-N	423.513	4.878	10	40	HJCB	
CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1	33923235	ASHUAIRAHGXRAM-JEVXPMSVSA-N	411.918	4.695	10	40	HJCB	
O=C(NN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)c1ccc(Cl)cc1	83306047	KRNWPDMQJFOECR-NTEUORMPSA-N	409.319	4.540	10	40	HJCB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\NC(=O)Nc1cccc2ccccc12	102516047	ABMLYRIEZLAWQH-UYRXBGFRSA-N	404.857	4.921	10	40	HJCB	
CCOc1cc(N(CC)CC)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21	260788353	ZCDOPRAYMMKXIS-NPFVIJTESA-N	410.587	4.916	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc4ccccc4oc3=O)SC2=S)cc1	409332137	PNWUWOIEXYXOIM-LDADJPATSA-N	409.488	4.598	10	40	HJCB	
CC1(C)C[C@@H]2C[C@@](C)(CN2Cc2c(O)ccc3cc(-c4ccccn4)c(=O)oc23)C1	1177518	XAUXRNPLUMFIHE-CRICUBBOSA-N	404.510	4.961	10	40	HJCB	
CCOc1ccccc1N1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S	1308659	RXUVZWDWFYUGTM-ATVHPVEESA-N	401.509	4.508	10	40	HJCB	
Cc1cccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)NC2=O)c1	5203350	CSGBGRUKJJVWHT-BOPFTXTBSA-N	405.928	4.595	10	40	HJCB	
COc1ccc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)c(OC)c1OC	5371966	TZKIQARAVDLCOP-BOPFTXTBSA-N	415.536	4.735	10	40	HJCB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1OCc1ccccc1	59427948	PYDHPLDZUGDVST-STZFKDTASA-N	405.494	4.594	10	40	HJCB	
C[C@@H]1CCCN(c2ccc(CNC(=O)COc3cccc(C(F)(F)F)c3)cc2)C1	225814114	AGPVFFLCORYQLB-MRXNPFEDSA-N	406.448	4.637	10	40	HJCB	
O=C1/C(=C\c2ccc(Br)s2)C(C(F)(F)F)=NN1c1ccccc1	408969791	UPWOTFSCKCLLSY-FLIBITNWSA-N	401.207	4.859	10	40	HJCB	
COc1cccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)c1	1011294	HXQAAMNQUODKBX-OQLLNIDSSA-N	406.326	4.864	10	40	HJCB	
COC(=O)[C@H](Oc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C)c1ccccc1	4747424	FJDHRKQDARAKNC-JOCHJYFZSA-N	404.418	4.556	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)cc(OC)c1OC	5371972	IMKZAGSOCYFSGK-WQRHYEAKSA-N	415.536	4.735	10	40	HJCB	
Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(OC(C)C)cc4)S3)CC2)c1	13534745	TYTNJOKGPHETRD-CJLVFECKSA-N	421.566	4.575	10	40	HJCB	
CCOc1ccccc1-n1cccc1/C=C1\C(=O)N(c2ccc(F)cc2)C(=O)N=C1O	20210236	SRIRTVRBEPFZPP-JXAWBTAJSA-N	419.412	4.522	10	40	HJCB	
CN(C)c1ccc(/C=C2/SC(=O)N(CCOc3ccc4c(c3)CCCC4)C2=O)cc1	34706489	DHFUPVWSQOLSPQ-PXLXIMEGSA-N	422.550	4.747	10	40	HJCB	
O=C(Nc1cccc(N2CCCC2)c1)c1ccc(-n2ccc(C(F)(F)F)n2)cc1	84372828	PDYAMCDBXJUABP-UHFFFAOYSA-N	400.404	4.744	10	40	HJCB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21	5738340	XBYNYXOFLODSKE-VBHSOAQHSA-N	401.806	4.992	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(CC)cc1	409057654	VXRZIXHIBAXVIQ-JWGURIENSA-N	405.494	4.915	10	40	HJCB	
O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1cccc(Cl)c1	1846986	OIPDYFSJMSYPEL-PTNGSMBKSA-N	406.916	4.553	10	40	HJCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)cc1C	33925444	SGDHESBRLFKNJT-QZEQKTIESA-N	419.554	4.986	10	40	HJCB	
O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	58865551	IROJHYSOGVNPHY-UHFFFAOYSA-N	417.801	4.652	10	40	HJCB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409018840	WTTMGJQQNYDPRM-HAHDFKILSA-N	419.521	4.984	10	40	HJCB	
Cc1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)ccc1N1CCCC1	409103868	HKLDUEBDSQPADB-XDHOZWIPSA-N	424.547	4.699	10	40	HJCB	
CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)C(=O)N=C2S1	5516247	MMXNDVRYGNTGCN-MOMPGVPCSA-N	413.506	4.886	10	40	HJCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C(=O)NC2=S)c1C	9934518	QOHQQCLCWXVAEN-PDGQHHTCSA-N	420.465	4.534	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	20244061	BQOHUYBDUFLQTC-HZHRSRAPSA-N	413.433	4.980	10	40	HJCB	
CCCn1cc(/C=C2\C(=O)N(c3ccc(OCC)cc3)C(=O)N=C2O)c2ccccc21	33332445	LTHCIPTUSCEYSB-ZHZULCJRSA-N	417.465	4.957	10	40	HJCB	
COc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)c2ccccc12	59135956	PNXFKLMXIWGFOZ-FOWTUZBSSA-N	406.438	4.659	10	40	HJCB	
COc1ccc(N2C(=O)C(=O)N(c3ccc(/N=N\c4ccccc4)cc3)C2=S)cc1	102950139	NCYCSJLAPNJSHF-VHXPQNKSSA-N	416.462	4.775	10	40	HJCB	
CC1CCN(c2ccc([C@@H](C)NC(=O)c3cccc(N4CCCC4=O)c3)cc2)CC1	219214620	MKUZKCDLPZANBH-LJQANCHMSA-N	405.542	4.541	10	40	HJCB	
COc1cc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccs2)ccc1O	239846247	KZWAEKCNRFBIRB-KKSFZXQISA-N	412.898	5.358	10	40	HJCB	
COc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2)N(c2ccc(O)cc2)C1=O	408756891	UZEWBXRPOHZLHR-XSFVSMFZSA-N	404.853	4.889	10	40	HJCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)C(=O)NC2=S)cc1	408783522	OAYHQSROIAVNKL-KGENOOAVSA-N	421.566	4.614	10	40	HJCB	
COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(N4CCCCC4)cc3)on2)cc1	12401865	NPFTZRRQADIVRK-QGZVFWFLSA-N	405.498	4.832	10	40	HJCB	
Oc1ccccc1CN(C[C@@H]1CCCO1)C(=S)Nc1cccc(C(F)(F)F)c1	16310504	LRSXLGHLONAQQG-KRWDZBQOSA-N	410.461	4.789	10	40	HJCB	
Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1cccc(F)c1	33912349	CQMATTHTAURXFU-QCYQHFLCSA-N	409.490	4.508	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(F)cc1	409021874	CUTVYQKMAVBRFS-YVLHZVERSA-N	405.347	4.722	10	40	HJCB	
CCOc1ccc(/C=C2\SC(=S)N(c3cccc(OC)c3)C2=O)cc1OC	1244748	WZTPGMVLHYKYEK-WQRHYEAKSA-N	401.509	4.508	10	40	HJCB	
COc1ccc(N2N=C(C)/C(=C/c3c(C)nn(-c4ccc(C)cc4C)c3C)C2=O)cc1	408755304	DFDSAOGVAZHATI-UCQKPKSFSA-N	414.509	4.921	10	40	HJCB	
O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccco2)SC1=S	409370716	DLLQHUAPFSVFQN-KPKJPENVSA-N	414.295	4.524	10	40	HJCB	
COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)ccc1OC(C)C	33615277	ZBMIOHAZFWKBFQ-MHWRWJLKSA-N	414.845	4.643	10	40	HJCB	
COc1ccc2cc(S(=O)(=O)N[C@H](C)c3ccc(N4CCCCC4)cc3)ccc2c1	223216168	HQMNFDOXSLFSKP-GOSISDBHSA-N	424.566	4.878	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)NC2=S)c(C)c1	409134026	OJLDCAMTVVMTDI-XDHOZWIPSA-N	417.534	4.670	10	40	HJCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)NC2=O)cc1C	2375658	AXWZINNNDCYYSQ-UNOMPAQXSA-N	421.547	4.735	10	40	HJCB	
COc1ccc(NC(=O)CCN2C(=O)S/C(=C/c3ccc(F)cc3)C2=S)cc1	4471263	VIRAPGQEJMQAOU-SFQUDFHCSA-N	416.499	4.700	10	40	HJCB	
Cc1cc(C(=O)COC(=O)c2ccc(C(C)C)cc2)c(C)n1-c1ccc2c(c1)OCO2	6831986	VYOYIKXZYMDAKZ-UHFFFAOYSA-N	419.477	4.986	10	40	HJCB	
CCN(Cc1ccccc1)C(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S	11612247	YIUZWDMHNKMKRX-HMMYKYKNSA-N	424.591	4.635	10	40	HJCB	
Cc1oc2c(CN3C[C@H](C)O[C@@H](C)C3)c(O)ccc2c(=O)c1-c1ccccc1Cl	14182632	BHFGZDIJYNCEKK-KBPBESRZSA-N	413.901	4.737	10	40	HJCB	
CN(C)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(F)cc3)C2=O)cc1	96623688	WTKDVVRJUCVILM-PXLXIMEGSA-N	403.432	4.865	10	40	HJCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N=C(O)N(c4cccc(C)c4)C3=O)c2C)cc1	17251901	YUHBOEODYHXMRJ-HMAPJEAMSA-N	413.477	4.582	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C(=O)N=C2S1	41083398	MKLAYDSPIHWMIO-ZTPJVXOPSA-N	405.527	4.822	10	40	HJCB	
CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1	223509688	NLQBZLZRGKDYJH-OAQYLSRUSA-N	413.993	4.715	10	40	HJCB	
CCc1cccc(C)c1-n1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1C	408903758	YMEJIHDSUVVYHN-HMAPJEAMSA-N	413.546	4.735	10	40	HJCB	
Cc1cc(N2CCCC2)ccc1/C=C1/SC(=S)N(c2cccc(C(=O)O)c2)C1=O	409093912	BPCFDVRAUAZUJX-CPNJWEJPSA-N	424.547	4.699	10	40	HJCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cccn3-c3ccc4ccccc4c3)C2=O)c1	9265348	BQJZLULGMNDVLW-KQWNVCNZSA-N	421.456	4.605	10	40	HJCB	
O=C1N=C(O)/C(=C\c2ccccc2OCc2ccc(F)cc2)C(=O)N1c1ccccc1	33321567	VPKJHUSKFGNLNI-XSFVSMFZSA-N	416.408	4.911	10	40	HJCB	
CCOc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCc1cccc(F)c1	408532812	VZEDNUDYOOBJKL-SXGWCWSVSA-N	423.918	4.946	10	40	HJCB	
Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccccc4OC(C)C)S3)CC2)c1	13533941	HSRGNXFMEGUNOC-CJLVFECKSA-N	421.566	4.575	10	40	HJCB	
COc1ccccc1Oc1c(C)oc2c(CN3CCC[C@@H](C)C3)c(O)ccc2c1=O	20390960	FOBSXTKJJGZMJG-OAHLLOKOSA-N	409.482	4.840	10	40	HJCB	biogenic
O=C(O)CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)SC1=S	3639943	CNYIHZMWZVWMRN-AWNIVKPZSA-N	414.291	4.539	10	40	HJCB	
O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(O)c(CN3CCCCCC3)c2o1	4353804	QJQVTDFEVJGTHQ-UHFFFAOYSA-N	417.461	4.648	10	40	HJCB	biogenic
COc1ccccc1[C@H](CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)N1CCCC1	5699499	KMNSLEBPTRCABL-DEOSSOPVSA-N	417.553	4.670	10	40	HJCB	
Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2cccc(Br)c2)S1	8964450	NMZBBBHZYRZQKN-NVNXTCNLSA-N	417.284	4.538	10	40	HJCB	
CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2cccc3ccccc23)cc1	28231996	IPJLKPWXBCNKLW-DEOSSOPVSA-N	402.538	4.656	10	40	HJCB	
COc1ccc(N2C(=O)C(=O)N(c3ccc(/N=N/c4ccccc4)cc3)C2=S)cc1	104311538	NCYCSJLAPNJSHF-WCWDXBQESA-N	416.462	4.775	10	40	HJCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(O)cc1	222921749	JTCJCOPHYOZPEO-GOTSBHOMSA-N	420.582	4.823	10	40	HJCB	
Oc1ccccc1[C@H]1N=C2SC(c3ccccc3)=NN2C(=S)N1c1ccccc1	408721427	HLORVLPFQYOJQP-IBGZPJMESA-N	416.531	4.963	10	40	HJCB	
Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)C2=O)cc1C	4471294	GCEFTTIUEIKKPW-UNOMPAQXSA-N	406.869	4.987	10	40	HJCB	in-vivo
O=C1c2ccccc2N[C@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N1Cc1ccco1	5701831	MVSOKBUUMQMJAH-QFIPXVFZSA-N	418.453	4.555	10	40	HJCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C	222876045	BXUBKYZMUTVCDI-FCHUYYIVSA-N	406.555	4.577	10	40	HJCB	
CCN(CCCNC(=S)Nc1ccc(Br)cc1)c1ccc(C)cc1	225732965	AOYIODGWIPHKNL-UHFFFAOYSA-N	406.393	4.961	10	40	HJCB	
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1ccc([N+](=O)[O-])cc1Cl	408529212	HFZTXJGAHHBJTM-ZROIWOOFSA-N	405.241	4.929	10	40	HJCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1C	409074197	KXJPKPYTXJXJEG-LPYMAVHISA-N	417.484	4.943	10	40	HJCB	
CCOc1ccccc1N1C[C@@](O)(c2ccc(Cl)cc2Cl)[N+]2=C1SCCC2	2684169	VIQJNGSSTZJZBJ-HXUWFJFHSA-N	424.373	4.563	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccccc1	4592234	LQGSWTUUWDPBQF-YBEGLDIGSA-N	405.928	4.759	10	40	HJCB	
C[C@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1Cl)C(=O)c1ccccc1C2=O	4965707	URFOUXZXDMHVFA-ZDUSSCGKSA-N	405.837	4.521	10	40	HJCB	
Nc1oc2c(CN3CCCCCC3)c(O)ccc2c(=O)c1-c1nc2ccccc2s1	19682105	ZMHXYKHSAGVCPK-UHFFFAOYSA-N	421.522	4.734	10	40	HJCB	
O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C/c1cccc2ccccc12	40147349	HWNVQXTVEGCCDT-CJLVFECKSA-N	417.509	4.771	10	40	HJCB	
COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1	222831581	OGXCCMJZNRNGEO-DHIUTWEWSA-N	420.582	4.879	10	40	HJCB	
CCOc1c(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cccc1OC	409330260	KHUAAJBKMCFKFU-ATVHPVEESA-N	401.509	4.508	10	40	HJCB	
O=C1C(=Cc2ccc(F)cc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	1274367	BLHSZRMHWRVJFV-UHFFFAOYSA-N	402.450	4.574	10	40	HJCB	
CCN1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(O)=NC1=S	8973672	OCFPORYATHXGTO-GZTJUZNOSA-N	423.925	4.830	10	40	HJCB	
COc1ccc(/C=C2/SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)c(OC)c1	16692846	FVRASGQBYSQNSE-LZYBPNLTSA-N	408.401	4.805	10	40	HJCB	
Cc1cc(NC(=S)NCc2ccc(N3CCCCC3)cc2)ccc1N1CCCC1=O	225418410	OZMBFUGUDNWUEV-UHFFFAOYSA-N	422.598	4.599	10	40	HJCB	
O=C1/C(=C/c2ccc(C(F)(F)F)cc2)SC(=S)N1c1ccc2c(c1)OCO2	409346774	LHWIVVLKTDUVAH-CHHVJCJISA-N	409.410	4.840	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C/c3cccc4cccnc34)SC2=S)c(OC)c1	9419152	DAHRHSHNJCKSES-WQRHYEAKSA-N	408.504	4.658	10	40	HJCB	
COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OC	260732730	ANECCWLFBFIYRB-IRXDYDNUSA-N	413.587	4.988	10	40	HJCB	
CCc1cccc2c(/C=C3/C(=O)Nc4ccccc43)cn(CC(=O)NC3CCCC3)c12	3648246	LWIHRECKPWLZJO-HYARGMPZSA-N	413.521	4.755	10	40	HJCB	
CC[C@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S	4857111	VKYUANZNBXOVFO-BXWAGETQSA-N	408.614	4.521	10	40	HJCB	
Cc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc([N+](=O)[O-])cc3nc12	4982801	MKGFDIUQLGATNU-UHFFFAOYSA-N	422.466	4.720	10	40	HJCB	
CCN(CC)c1ccc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)cc1	9188348	RCAVCCPTXKIFNN-SILNSSARSA-N	412.580	4.813	10	40	HJCB	
COc1ccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)c2cccnc12	260743137	ZBBXUCPDDDTDSK-KRWDZBQOSA-N	420.582	4.966	10	40	HJCB	
COc1ccc(N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1	3446132	JMVGYPUNGWGZML-UHFFFAOYSA-N	402.523	4.694	10	40	HJCB	
COc1ccc(CCN/C(C)=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1	17088915	QPIBDQNVGYHGQS-CLCOLTQESA-N	411.505	4.552	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccc(C)cc2)cc1	59232584	PDMMICPTNHXXDV-FYJGNVAPSA-N	412.445	4.567	10	40	HJCB	
COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1C	225664618	VSIKSVXKVJZPAH-QGZVFWFLSA-N	411.571	4.820	10	40	HJCB	
CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)N=C2S1	5185721	SZHLAOABIKPPAK-DJCXZETLSA-N	405.527	4.740	10	40	HJCB	
CC(C)C1=NN2C(=N)/C(=C/c3ccccc3OCc3ccccc3)C(=O)N=C2S1	5461260	MEPNKJGQZZURQJ-ZTHFNACSSA-N	404.495	4.541	10	40	HJCB	
CCN(CCNC(=S)Nc1ccc(Br)cc1F)c1ccc(C)cc1	225793646	HSOBOJRSRGYYPY-UHFFFAOYSA-N	410.356	4.710	10	40	HJCB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1	409199106	NTAVWRWWIROOLU-UVTDQMKNSA-N	419.264	4.658	10	40	HJCB	
Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)oc2ccc(F)cc12	15831778	RVZZOZOWIASEIV-FQEVSTJZSA-N	410.489	4.768	10	40	HJCB	
CC1CCN(Cc2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)CC1	44910718	ZLIKXIVQEBHQKK-UHFFFAOYSA-N	405.586	4.839	10	40	HJCB	
Cc1cccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2ccc(F)cc2)c1	408764652	XZXINZMWUFWBGD-KGENOOAVSA-N	400.409	4.667	10	40	HJCB	
Cc1cc(S(N)(=O)=O)c(C)cc1NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	1621064519	JRESJCMOYAMILC-UHFFFAOYSA-N	418.603	4.864	10	40	HJCB	
O=C(O)C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S	5214743	VJWNLDSEFPHOHL-HEUOVEHFSA-N	403.912	4.757	10	40	HJCB	
CCOc1ccc(-n2cccc2/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1	20210231	OZTVSMMDVZFSNK-ZHZULCJRSA-N	419.412	4.522	10	40	HJCB	
O=C(O)c1ccccc1[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@H]21	409165026	RESDWLSAMPAKRK-SNUQEOBHSA-N	417.246	4.816	10	40	HJCB	
CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc(Cl)c1O	409345236	KRTTXAOAAGCGLM-OVCLIPMQSA-N	409.891	4.989	10	40	HJCB	
COCCN1C(=O)/C(=C/C2=Cc3ccccc3O[C@@H]2c2ccccc2)SC1=S	2703938	ZZFJMVHLUXUJDC-GRTQGXPSSA-N	409.532	4.594	10	40	HJCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1nccs1	4745338	RPANFUAVDBVIDQ-SQFISAMPSA-N	417.581	4.543	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2F)cc1	408758540	MCKAKKVLTCQYBJ-UDWIEESQSA-N	400.409	4.697	10	40	HJCB	
O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1C(=O)c1ccc(F)cc1	3037588	NTBVFSOYMUZNMY-NTEUORMPSA-N	422.300	4.630	10	40	HJCB	
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O	15008593	XIHOIAVVCKPNHO-LICLKQGHSA-N	400.481	4.626	10	40	HJCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)cc(Br)c3O)N21	260759342	GESRDXAFRDZOQC-DQYPLSBCSA-N	418.360	4.838	10	40	HJCB	
O=C1OC2(CCCCC2)OC(=O)C1=Cc1cn(Cc2ccccc2F)c2ccccc12	2155663	WNHBUXUJIOEKTJ-UHFFFAOYSA-N	419.452	4.973	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C(=O)N=C2S1	5516608	PBMSRPKZGWQRQP-SOPDNMILSA-N	409.490	4.653	10	40	HJCB	
CC(/C=C1\SC(=S)N(CCC(=O)Nc2cccc(O)c2)C1=O)=C\c1ccccc1	12017080	WTEXHUJKWMDCTD-JGEPBQDUSA-N	424.547	4.569	10	40	HJCB	
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc12	408773694	WMEXUPHUTJWORO-KGENOOAVSA-N	414.461	4.522	10	40	HJCB	
CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)C1=O	409063806	AFOQFLIQXBNRDQ-YBEGLDIGSA-N	405.317	4.913	10	40	HJCB	
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(Cl)cc1	5370774	LCBLOWZRMZJTKX-GUSDSWBTSA-N	414.939	4.736	10	40	HJCB	
CCCCNC(=O)CCCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S	5370961	VKLBNFYFPRLPHG-BEQKSFQUSA-N	402.585	4.531	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OCC)cc1	13809719	OZRSBBWAIZYYAU-JCMHNJIXSA-N	405.494	4.969	10	40	HJCB	
COc1ccc(N2CCN([C@@H](C)c3cccc(NC(=O)c4ccccc4)c3)CC2)cc1	58168056	HOSSECIRQHNFRG-FQEVSTJZSA-N	415.537	4.831	10	40	HJCB	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccc([N+](=O)[O-])cc1	100510939	AFUUWZQVNVITAL-KGNHYALCSA-N	420.454	4.902	10	40	HJCB	
CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	970746	LICYIYAAMQMKJL-CPNJWEJPSA-N	420.852	4.558	10	40	HJCB	
CC(C)C1=NN2C(=N)/C(=C/c3cccn3-c3ccc(C(C)C)cc3)C(=O)N=C2S1	13281071	LKLNOXNFNFMVLN-BIWIXZEJSA-N	405.527	4.876	10	40	HJCB	
COCCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1cccc(Cl)c1	44085890	ASRHUHRKCCZCJO-UHFFFAOYSA-N	415.946	4.889	10	40	HJCB	
CC(C)N1CCc2cc(CN3CCC[C@H]3c3cncc(Nc4ccccn4)n3)ccc21	248151420	HGZXAEIRGZXWLW-QHCPKHFHSA-N	414.557	4.723	10	40	HJCB	
O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1cc(Cl)ccc1Cl	12680212	IFQSCFAZFQODMV-UHFFFAOYSA-N	413.307	4.810	10	40	HJCB	
Cc1oc2c(CN3C[C@@H](C)O[C@H](C)C3)c(O)ccc2c(=O)c1-c1ccccc1Cl	14182626	BHFGZDIJYNCEKK-ZIAGYGMSSA-N	413.901	4.737	10	40	HJCB	
O=C1N=C(Nc2ccccc2Cl)S/C1=C\c1cc(Br)ccc1O	2053577	DLEOUHZSYMGORM-ZSOIEALJSA-N	409.692	4.891	10	40	HJCB	
Cc1c(Cl)cccc1NCN1C(=O)S/C(=C\c2ccc(N(C)C)cc2)C1=O	103375057	AACIBAMDNUPWNE-WQRHYEAKSA-N	401.919	4.820	10	40	HJCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C	222883424	FVAJINXIYXKTAB-FCHUYYIVSA-N	405.571	4.575	10	40	HJCB	
COc1cc(C2=NN3[C@H](c4cccs4)Oc4ccc(Cl)cc4[C@H]3C2)ccc1O	239846244	KZWAEKCNRFBIRB-IERDGZPVSA-N	412.898	5.358	10	40	HJCB	
O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1CC(=O)Nc1ccc(F)cc1	14153069	ISVWRRLWGKFKON-UHFFFAOYSA-N	400.837	4.604	10	40	HJCB	
COc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1	35646520	QTVYPXNKRUIWAT-UNOMPAQXSA-N	421.434	4.946	10	40	HJCB	
CCN1C(=O)/C(=C/c2ccc(OCC(C)C)c(Br)c2)SC1=S	408600705	FBYCAICBWBGCRJ-ZSOIEALJSA-N	400.363	4.705	10	40	HJCB	
COc1ccc(C2=N/C(=C/c3ccccc3OC)C(=O)N2c2ccc(F)cc2)cc1	408767019	UWKQEVVCOXWALR-RCCKNPSSSA-N	402.425	4.677	10	40	HJCB	
COc1cccc(/C=C2/SC(Nc3ccccc3Br)=NC2=O)c1OC	2245747	BRGIBQFJOMOARE-XNTDXEJSSA-N	419.300	4.549	10	40	HJCB	
CC(/C=C1\SC(=S)N(CCCC(=O)N2CCCCC2)C1=O)=C\c1ccccc1	5370955	SXIXUEDKKJFUTG-SRKLUXGOSA-N	414.596	4.627	10	40	HJCB	
Cc1cc(C(=O)CSc2nc(-c3ccccc3O)n[nH]2)c(C)n1-c1ccc(F)cc1	9540673	LBORFWXYFKJVRL-UHFFFAOYSA-N	422.485	4.699	10	40	HJCB	
O=C(O)c1cccc(N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)c1	15346873	BFFUURJKVUVRQJ-RIYZIHGNSA-N	420.309	4.553	10	40	HJCB	
CCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)c(C)c3)o2)C(O)=NC1=S	59087101	XLKBDZSLMHRKKH-UKTHLTGXSA-N	419.300	4.504	10	40	HJCB	
Cc1cccc(N2C[C@H](C(=O)Nc3ccc(-n4c(C)ccc4C)cc3)CC2=O)c1C	408708883	VAHDPJDIOIPTQK-HXUWFJFHSA-N	401.510	4.703	10	40	HJCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1	409018280	TTZFIUHYXXDGAO-IDUWFGFVSA-N	404.249	4.576	10	40	HJCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)C(=O)NC2=S)c1	409233728	HOFJWDMJPOXZSB-LDADJPATSA-N	420.465	4.534	10	40	HJCB	
Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4ccco4)n3C)c2C)cc1	4500836	QYAIRXCAEKIEIE-UHFFFAOYSA-N	406.511	4.766	10	40	HJCB	
CC(/C=C1\SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O)=C\c1ccccc1	5033959	TVRSHPBSCKLLQL-NEOBQEPSSA-N	414.939	4.833	10	40	HJCB	
O=c1c2sc(/N=N/c3ccccc3)nn(-c3ccccc3)c=2c(=O)c2ccccc12	5600923	AQVNBOHJYVAHOS-OCOZRVBESA-N	410.458	4.948	10	40	HJCB	
CN1CCc2cc([C@H](CNC(=O)C34CC5CC(CC(C5)C3)C4)N3CCCCC3)ccc21	13007699	WVFFBVUHNSZYBT-KSUQMOORSA-N	421.629	4.539	10	40	HJCB	
COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OC	217924452	GPAJYRRBBQWZKG-KMDKVFFASA-N	408.542	4.831	10	40	HJCB	
CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1OC	409199634	PSAARUWRRHTUSY-CCRNYGKSSA-N	416.568	4.828	10	40	HJCB	
CCCN1C(=O)/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S	409345336	LFIFGKUONSNDRA-LDADJPATSA-N	414.508	4.785	10	40	HJCB	
O=C1/C(=C\c2ccccc2)SC(=S)N1CNc1ccc(Br)cc1	3020419	IMCAQVCRVJHJOS-XNTDXEJSSA-N	405.342	4.720	10	40	HJCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2O)ccc1OCc1ccccc1F	4679185	FIXGSDKZRZXEFM-UYRXBGFRSA-N	418.424	4.715	10	40	HJCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)cc1	5516460	FTKCDFFEUYAOIW-ODXNEQJUSA-N	405.527	4.678	10	40	HJCB	
Cc1ccccc1N1C(=O)C(=Cc2ccccc2O)C(=O)N(c2ccccc2C)C1=O	59484137	IJBVLOTYPMGQST-UHFFFAOYSA-N	412.445	4.592	10	40	HJCB	
CC1(C)/C(=C/[C@H](NC(=O)[n+]2ccccc2)C(Cl)(Cl)Cl)Nc2ccccc21	101409765	YTAMOBZUKLNHRB-IRVMHKCDSA-O	411.740	4.558	10	40	HJCB	
Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)o1	408849812	ZGBSCKUDDNENQG-WOJGMQOQSA-N	424.815	4.714	10	40	HJCB	
Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1C	882972	CVAJYSYNSJTLLJ-UHFFFAOYSA-N	406.467	4.739	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C(=O)N=C2S1	5147241	MKLAYDSPIHWMIO-MJEQIIAOSA-N	405.527	4.822	10	40	HJCB	
Oc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCC2)cc1	95472791	YLOROWCDIMONKG-UHFFFAOYSA-N	417.421	4.935	10	40	HJCB	
CCN(CC)c1ccc(N/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)cc1	103128781	WJSSRWYAJYOADI-ZHZULCJRSA-N	406.486	4.569	10	40	HJCB	
CCCN1C(=O)/C(=C\c2ccccc2O[C@@H](C)CC)C(=O)N(c2ccccc2)C1=S	409023068	CNWAXXLVQADOEC-BJMRFWQKSA-N	422.550	4.818	10	40	HJCB	
CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)C(C(=O)OC)=C1C	3651923	LMGMTQNRBNCUKX-ODLFYWEKSA-N	412.917	4.748	10	40	HJCB	
Cc1ccccc1NC1=NC(=O)/C(=C/c2cccn2-c2cccc(C(=O)O)c2)S1	5533712	MPTCEOZNPASCDH-UYRXBGFRSA-N	403.463	4.566	10	40	HJCB	
COc1ccc(Oc2c(C)oc3c(CN4CCC(C)CC4)c(O)ccc3c2=O)cc1	23114507	ZDDTWWHVFJOQFH-UHFFFAOYSA-N	409.482	4.840	10	40	HJCB	biogenic
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)c1	33439036	PPGBPSLRDBPHHV-OOEDSJJISA-N	405.527	4.678	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(F)cc3)C2=O)cc1OC	408760577	BCADNCCJYGAIDO-KGENOOAVSA-N	416.452	4.986	10	40	HJCB	
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(N(CC)CC)cc3OC)S2)cc1	408780822	LMYMXPHNOKVWCY-CVGPFBNFSA-N	411.571	4.703	10	40	HJCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2ccccc2)cc1	17082175	BTRBYCMUEMOXIG-JWGURIENSA-N	401.441	4.971	10	40	HJCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1	222927804	ZKLWKHJYSKESQZ-DHIUTWEWSA-N	419.598	4.821	10	40	HJCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N(CC)CC)cc3OC)N21	260753149	BOBGOBLAKBPYCO-HVETUWLQSA-N	410.587	4.916	10	40	HJCB	
COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1	408586828	RPPMMDAQGFIVCT-UHFFFAOYSA-N	415.898	4.689	10	40	HJCB	
Cc1cc(C(=O)COC(=O)CCC(=O)c2cccs2)c(C)n1-c1ccc(F)cc1	2640775	VJYNKZKQMBGJCT-UHFFFAOYSA-N	413.470	4.684	10	40	HJCB	
CCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S	7813372	KXQATLCFFYOEKX-DWKHYPNZSA-N	405.472	4.540	10	40	HJCB	
COCCn1c(-c2ccccc2)cnc1SCC(=O)Nc1cccc(Cl)c1	44085843	HUXHVEBJZXTIMR-UHFFFAOYSA-N	401.919	4.581	10	40	HJCB	
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccc(O)c(O)c1	5990067	ICGKPZDKEGXEGQ-UHFFFAOYSA-N	415.474	4.592	10	40	HJCB	
CCN1C(=O)[C@@H](Cc2ccc(OCc3cccc(F)c3)c(Cl)c2)SC1=S	6952998	QTJNTJSKYDMEKM-QGZVFWFLSA-N	409.935	4.849	10	40	HJCB	
O=C(c1ccco1)N1N=C(c2cccc(Br)c2)C[C@@H]1c1ccccc1O	97165268	RFNJLTHLQZWIAK-QGZVFWFLSA-N	411.255	4.739	10	40	HJCB	
COc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1	260453268	ICGIIAVZDGUPPF-PMACEKPBSA-N	410.558	4.968	10	40	HJCB	
Cc1cccc(NC(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)c1	929896	KKGZTMOTNWJWQA-HXUWFJFHSA-N	407.539	4.768	10	40	HJCB	
COc1ccc(OC)c(/C=C2\SC(Nc3ccc(Br)cc3)=NC2=O)c1	2398622	AVADDCRMIZBMJY-YBEGLDIGSA-N	419.300	4.549	10	40	HJCB	
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCC[C@H](C)C4)c23)cc1	5182575	XRHVQJPPJUQOQO-HNNXBMFYSA-N	408.498	4.940	10	40	HJCB	
CN1C(=O)/C(=C\c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)SC1=S	8870007	HTIKUJLXWQCCHL-OQLLNIDSSA-N	422.453	4.789	10	40	HJCB	
COc1ccc(/C=C2\SC(Nc3cccc(Br)c3)=NC2=O)c(OC)c1	17196529	DEVVMPPQNZVQEJ-PXNMLYILSA-N	419.300	4.549	10	40	HJCB	
CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1	30854119	RFHNIQLGUDFPAP-FQEVSTJZSA-N	404.963	4.568	10	40	HJCB	
CC(=O)NC1=NC(=O)/C(=C\c2ccccc2OCc2cccc3ccccc23)S1	32110013	WBIODUWVVYKGOE-FYJGNVAPSA-N	402.475	4.525	10	40	HJCB	
CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2Cc1c(O)ccc2ccccc12	84773998	GMPJTWOPJSGBPX-UHFFFAOYSA-N	424.566	4.529	10	40	HJCB	
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(-c4ccc(O)cc4)c3C)S2)cc1	408771010	CBEIVCYLJQORRZ-IGSWSUAKSA-N	419.550	4.962	10	40	HJCB	
CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(C)C	409081904	IGWNARIWXOWBPB-YLRSXTQRSA-N	421.584	4.500	10	40	HJCB	
Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/C=C/c3ccc(N(C)C)cc3)NC(=O)CCN21	2196119	LDIUBBVMNFQQGA-COAWWGSZSA-N	401.554	4.644	10	40	HJCB	
COc1cccc([C@@H]2Nc3c(C(=O)O)cc(Br)cc3[C@@H]3C=CC[C@@H]32)c1	4517432	XRTUSUILGIQLDU-VKJFTORMSA-N	400.272	4.982	10	40	HJCB	
Cc1ccc(NC(=O)CSc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1	23763309	GFBPHAXTKCOLIZ-BOPFTXTBSA-N	414.577	4.557	10	40	HJCB	
O=C1C(=Cc2cccc(Cl)c2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	408868123	MMEPWSKUVCVPCG-UHFFFAOYSA-N	402.837	4.923	10	40	HJCB	
CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4CC)c3C)C(=O)N=C2S1	5164106	INTHKLBCJKBFMN-ZTPJVXOPSA-N	405.527	4.686	10	40	HJCB	
COc1ccc(/C=C2/SC(Nc3cccc(Br)c3)=NC2=O)c(OC)c1	8821711	DEVVMPPQNZVQEJ-LZYBPNLTSA-N	419.300	4.549	10	40	HJCB	
Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@@H]2c1ccncc1	9597232	INSFHKDIONCDKT-GHTZIAJQSA-N	422.282	4.792	10	40	HJCB	
Cc1oc2ccc(O)c(CN3CCOCC3)c2c1C(=O)Nc1ccc(C(C)C)cc1	19794000	YNLLCPVRPKTHGT-UHFFFAOYSA-N	408.498	4.655	10	40	HJCB	
Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc3C2)cc1	35349277	NQLPCWUBVLNAGO-SANMLTNESA-N	413.565	4.590	10	40	HJCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1O	222921474	MZCGQNNEJPVSIJ-GOTSBHOMSA-N	420.582	4.823	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccccc1Br	408588909	XCFGUISKMBCCAO-ATVHPVEESA-N	412.283	4.635	10	40	HJCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c2C)c1C	5898250	WHGXOCDXYZWPHX-UDWIEESQSA-N	417.465	4.806	10	40	HJCB	
CCCOc1ccc(/C=C2\SC(N3CCN(c4cccc(C)c4)CC3)=NC2=O)cc1	12436801	HNOOVUSQLCSLHO-XLNRJJMWSA-N	421.566	4.576	10	40	HJCB	
CC(C)(C)C1(C)OC(=O)C(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)O1	12629049	NQPWLDOMBIFVMS-UHFFFAOYSA-N	419.817	4.754	10	40	HJCB	
COc1ccc(N2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1	36753144	IELOPBSCEQHMRT-JTSKRJEESA-N	407.539	4.539	10	40	HJCB	
O=C1S/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccc(F)cc1	409075515	RFDLPHYEQSORGD-UNOMPAQXSA-N	400.450	4.802	10	40	HJCB	
Oc1ccc([C@]23CCCC[C@H]2C2(CCCCC2)c2ccc(O)c(O)c2O3)c(O)c1O	4601488	CMIFNKWYNSYEJE-MHECFPHRSA-N	412.482	4.895	10	40	HJCB	
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)c(OCC)c1	13749804	ASAAOJZPIVZEEE-UNOMPAQXSA-N	415.536	4.898	10	40	HJCB	
Cc1ccc(/C=C2\SC(=S)N(C(=O)c3cccc(Br)c3)C2=O)cc1	28632226	NFWPBFOAEJGPME-DHDCSXOGSA-N	418.337	4.799	10	40	HJCB	
CC1(C)/C(=C/[C@@H](NC(=O)[n+]2ccccc2)C(Cl)(Cl)Cl)Nc2ccccc21	101409770	YTAMOBZUKLNHRB-RTYFKUQISA-O	411.740	4.558	10	40	HJCB	
COc1ccc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc1	17082176	GBODWKNNWBLXOG-JWGURIENSA-N	401.441	4.971	10	40	HJCB	
Cc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1	34695726	NDAUIVDSTCDSSW-OBHZVMPMSA-N	418.309	4.650	10	40	HJCB	
COc1ccc(OCCCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1	260453272	ICGIIAVZDGUPPF-VQTJNVASSA-N	410.558	4.968	10	40	HJCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CC(c1ccccc1)c1ccccc1	8192800	QDMYIMMYTSZIKK-UHFFFAOYSA-N	414.549	4.704	10	40	HJCB	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C1\SC(NC2CCCC2)=NC1=O	21314058	AGDJWQCKGJCUTH-ODLFYWEKSA-N	414.962	4.704	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C\c3cc(OC)cc(OC)c3)SC2=S)cc1	60510624	RZKPDCVSOYFDIQ-WOJGMQOQSA-N	401.509	4.508	10	40	HJCB	
CC(=O)Nc1ccc(F)c(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)c1	95465452	WRVBECVLSOZSCL-MRXNPFEDSA-N	406.457	4.893	10	40	HJCB	
CCOC(=O)c1cccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1	225691523	NZQKNZLVCYXLJD-QGZVFWFLSA-N	411.571	4.586	10	40	HJCB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCc1cccc(F)c1	408532784	VWGJJEPXBJZYPB-NVNXTCNLSA-N	409.891	4.556	10	40	HJCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Cl)cc3Cl)C2=O)cc1Cl	408988036	QELZBSRAVKWOSU-MLPAPPSSSA-N	409.656	4.622	10	40	HJCB	
CCOc1c(Cl)cc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1Cl	409123336	FSAFTLIVUHUUGP-GDNBJRDFSA-N	421.305	4.792	10	40	HJCB	
Cc1cccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c2C)c1C	3659038	CUJBXVZNVDKEMH-LPYMAVHISA-N	417.484	4.943	10	40	HJCB	
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CNCCO)c3)c2c1	4830978	GETPIVHQEHJVIK-UHFFFAOYSA-N	423.900	4.581	10	40	HJCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(SC)SC4=NC3=O)c2C)cc1	9291693	JLZMPIWFWCMBIU-WBIXSPHCSA-N	423.567	4.596	10	40	HJCB	
O=C1N=C(O)/C(=C\c2cccc(Cl)c2)C(=O)N1c1ccc(Br)cc1	33149444	OUFVJJMMTZPWHK-NTEUORMPSA-N	405.635	4.609	10	40	HJCB	
COc1ccc(/C=C2/SC(=S)NC2=O)cc1OCc1c(F)cccc1Cl	6174554	WFIPKIBNZUQSJM-LZYBPNLTSA-N	409.891	4.556	10	40	HJCB	
CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)SC2=S)cc1	6273048	QRIYRABJAOXILW-HMMYKYKNSA-N	409.580	4.759	10	40	HJCB	
O=C(Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)O)N2)c1ccc(Cl)cc1Cl	13661332	PREIJVXDCSNASS-VFVRVIDISA-N	404.249	4.751	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C/c3cccn3-c3c(C)cccc3CC)C(=O)N=C2S1	41083355	SUAWDORMWGWCLD-HVZAKDRGSA-N	405.527	4.767	10	40	HJCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OC(=O)c1ccccc1	96193340	QZDDRQDXZKILQN-QNGOZBTKSA-N	412.445	4.721	10	40	HJCB	
O=C1/C(=C/NC2CCCCC2)C(c2ccccc2)=NN1c1nc2ccccc2s1	102436336	ZDMRWKXIRDINGV-OBGWFSINSA-N	402.523	4.853	10	40	HJCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)cc1OC	408904819	PBVBGBGVIYQJEJ-MHWRWJLKSA-N	415.287	4.663	10	40	HJCB	
O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1	669304	BRKPIYXJDNCOEP-GDNBJRDFSA-N	417.223	4.854	10	40	HJCB	
COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c(OC)c1OC	6581501	IBTXBOTUMNMDAW-SILNSSARSA-N	414.461	4.547	10	40	HJCB	
Cc1csc([C@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)cc2C)n1	19570705	YQYKNZQIVTUGJS-NRFANRHFSA-N	413.612	4.732	10	40	HJCB	
Cc1cccc(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)NC2=S)c1C	409134023	RMSMYLYHRAQPTA-XDHOZWIPSA-N	417.534	4.670	10	40	HJCB	
CCCCN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1	4774777	JLQINWDDQUELHA-QZQOTICOSA-N	401.423	4.826	10	40	HJCB	
CN(Cc1ccc2c(c1)OCCO2)C(=O)/C=C/c1ccc(N2CCCCCC2)cc1	12553648	NSWJSXAGGYLHEZ-UKTHLTGXSA-N	406.526	4.510	10	40	HJCB	
CCCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(C)c(C)c3)C(=O)N=C2S1	13280954	GPYIQTXQOKMMBR-YEZNUIPASA-N	405.527	4.904	10	40	HJCB	
CCCn1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)c2ccccc21	17247421	DYMMTTVQGCODTM-LDADJPATSA-N	407.470	4.862	10	40	HJCB	
CCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S	7813371	KXQATLCFFYOEKX-KNGSKEOJSA-N	405.472	4.540	10	40	HJCB	
Cc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)no2)cc1	11917528	YAOSPNKWLFABPC-JOCHJYFZSA-N	419.525	4.537	10	40	HJCB	
COc1ccc2c(c1)c(/C=C1/SC(=S)N(c3ccc(O)cc3)C1=O)c(C)n2C	39360896	CUBIAUFHTUTZTI-YBFXNURJSA-N	410.520	4.607	10	40	HJCB	
CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C	222788255	ITFDTHLFYOBFNH-XZOQPEGZSA-N	419.598	4.548	10	40	HJCB	
Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)nc1	222838116	UZSTYKZLXNPFRB-YADHBBJMSA-N	405.571	4.573	10	40	HJCB	
O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S	1805171	VZDIEMVRQWTFKY-GDNBJRDFSA-N	407.900	4.666	10	40	HJCB	
Cc1cc(C(=O)COC(=O)/C=C/c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1	3283116	LBORAKTYNPDNFF-MDZDMXLPSA-N	415.392	4.728	10	40	HJCB	
CC[C@@H](C)N1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C1S	6830032	YTWHUNSTTBGHND-FPXKJXHESA-N	417.534	4.526	10	40	HJCB	
COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)[C@H](OC)c2ccccc2)c1O	9260520	MQDFEXNUPXUNNQ-PGRDOPGGSA-N	422.506	4.528	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1ccncc1	25328860	FNOGVNOVGZMIDR-XQNSMLJCSA-N	405.461	4.740	10	40	HJCB	
CC(C)n1ncc2cc(NC(=O)N(Cc3ccco3)Cc3ccccc3O)cnc21	40151151	ABNPFFHWMNOCFY-UHFFFAOYSA-N	405.458	4.545	10	40	HJCB	
CCOc1ccccc1NC(=O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1	58171391	NVVRMUQJDMMGNK-IBGZPJMESA-N	404.510	4.993	10	40	HJCB	
CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(O)=NC2=S)cc1	59138131	LYQZAGDSXUVPBM-NBVRZTHBSA-N	409.511	4.504	10	40	HJCB	
CCc1cccc2c(/C=C3/SC(=S)N(CCCCCC(=O)O)C3=O)c[nH]c12	97990669	VSCPMWQXCJHKHK-LFIBNONCSA-N	402.541	4.577	10	40	HJCB	
COc1ccc(CCN2C(=O)/C(=C/c3ccnc4ccccc34)SC2=S)cc1	8993569	NAQXLUREXZHDHF-ZHZULCJRSA-N	406.532	4.687	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(F)cc3)C2=O)cc1OC	408765735	XLTXFDWORFXTDZ-KGENOOAVSA-N	416.452	4.986	10	40	HJCB	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2)c1ccc(Cl)cc1Cl	1818593	FXXMVOQVYPYDOI-VBHSOAQHSA-N	403.265	4.784	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCCC(C)C	13809875	OZWRTFDRKSCRTD-JJBLJPBOSA-N	421.584	4.500	10	40	HJCB	
CCN(CC)c1ccc(/C=C2/SC(=S)N(C(=O)c3ccc(F)cc3)C2=O)cc1	408719275	KNYNMIQVPFTJMS-QGOAFFKASA-N	414.527	4.714	10	40	HJCB	
O=C(O)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1	408758579	MYYZOTRPUWQKIS-XSFVSMFZSA-N	402.837	4.873	10	40	HJCB	
COc1ccc(-c2c(C)oc3c(CN4CCC(C)CC4)c(O)ccc3c2=O)cc1OC	20411674	GVDOWTXYHZFDNZ-UHFFFAOYSA-N	423.509	4.723	10	40	HJCB	biogenic
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(O)c1	59435737	UQFCISCMLCLTRQ-DHDCSXOGSA-N	404.249	4.576	10	40	HJCB	
Oc1ccc2c(oc3c(-c4cccnc4)c4c(O)nn(C5CCCC5)c4nc32)c1O	95473273	SNPWCMBUZCAVGB-UHFFFAOYSA-N	402.410	4.625	10	40	HJCB	
COc1cccc(CN/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)c1	112286890	SQBFIWCZXLKXIS-QJOMJCCJSA-N	415.468	4.649	10	40	HJCB	
Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	409024506	ZMRBZYXZTVOUAY-CAOOACKPSA-N	418.902	4.890	10	40	HJCB	
CCc1ccccc1N1C(=O)/C(=C\c2cc(C)n(C3CCCC3)c2C)C(=O)NC1=S	4738850	DPSAMELFLUKCEX-ZHZULCJRSA-N	421.566	4.614	10	40	HJCB	
COc1ccc(N2CCN([C@H](C)C(=O)n3c4ccccc4c4ccccc43)CC2)cc1	37100504	ZKJPVARAVWOMNR-LJQANCHMSA-N	413.521	4.654	10	40	HJCB	
O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(Sc2nc3ccccc3s2)o1	408765766	BKQHQDSWHJIYSG-UHFFFAOYSA-N	413.476	4.794	10	40	HJCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c2C)c1	3652664	OTAISWGYFUWMAC-YDZHTSKRSA-N	417.484	4.943	10	40	HJCB	
Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/C=C/c3ccc(N(C)C)cc3)NC(=O)CCN21	4498487	LDIUBBVMNFQQGA-OCCNEHBCSA-N	401.554	4.644	10	40	HJCB	
CCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2CCc2ccc(OC)cc2)c1O	7884460	ANMXIYXSKSNQHC-XMMPIXPASA-N	418.493	4.609	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2cccc(C)c2)cc1	408756842	USSAKMIDJUONBK-PXLXIMEGSA-N	412.445	4.536	10	40	HJCB	
CCn1cc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21	409343147	GDQOUSGOCURCLF-WOJGMQOQSA-N	409.492	4.975	10	40	HJCB	
CC(=O)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	2425086	WRPSQJOSQVCKJA-ISJGIBHGSA-N	419.480	4.709	10	40	HJCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(CC)CC)cc3)C2=O)cc1	5024780	OTCLIHGIDCLIND-VULIGXMUSA-N	419.525	4.713	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N=C2S1	6245885	HMTDZYGTHYGXHJ-PBOWYIGHSA-N	405.527	4.822	10	40	HJCB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21	409174110	LHVRJYRWVMSTPF-SNUQEOBHSA-N	401.806	4.992	10	40	HJCB	
CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1Br	34897921	UMQUKJDDJCZLFK-ADVUTCEVSA-N	400.363	4.848	10	40	HJCB	
COc1ccc(N2CCC(NC(=O)c3ccc(-n4c(C)ccc4C)cc3)CC2)cc1	95959469	UANQUYUCOKARTP-UHFFFAOYSA-N	403.526	4.502	10	40	HJCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1C(C)(C)C	409233421	KITSTQUMPCCRLG-DEDYPNTBSA-N	423.582	4.815	10	40	HJCB	
Cc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1	35349245	CKYDKWNJWTXZBC-SANMLTNESA-N	413.565	4.590	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3cccc(N4CCCC4=O)c3)cc2)C1	260578058	VHZXJRPVJOVVBN-OALUTQOASA-N	405.542	4.541	10	40	HJCB	
CC[C@@H]1CCCCN1C(=O)CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S	1180100	VSULSFYVYPFYHT-WIZMWCRPSA-N	423.003	4.722	10	40	HJCB	
Cc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3ccco3)SC2=S)c1C	1264719	JPIWMBZMKYOTFW-ATVHPVEESA-N	400.525	4.517	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc(OC)c1OC	2454160	ZXQWJJBCMJHXSW-CYUIRQCWSA-N	415.536	4.675	10	40	HJCB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cc(OC)c(OC)c(OC)c1	100423324	IOZDRTSELPVREJ-QNGOZBTKSA-N	409.486	4.601	10	40	HJCB	
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)C1	219204166	VWICNFACEBRNTI-RTBURBONSA-N	405.542	4.541	10	40	HJCB	
CCOc1ccccc1N1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S	1259744	XXZRPEDKQXRZHC-PDGQHHTCSA-N	401.509	4.508	10	40	HJCB	
CCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c2C)cc1	3652797	IAFGSFTUQGONCE-OEAKJJBVSA-N	417.484	4.889	10	40	HJCB	
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCC(C)CC4)c23)cc1	5182619	YPPFIRBISOCBSY-UHFFFAOYSA-N	408.498	4.940	10	40	HJCB	
CC1=CC2=NC(=O)/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C(=N)N2O1	20236929	SKKZOOIHMDDFBW-PJSPVGSXSA-N	414.387	4.563	10	40	HJCB	
Cn1c(=O)c(C2=Nc3ccccc3N[C@H](c3ccccc3O)C2)c(O)c2ccccc21	104827585	OZDZDKSFNANSLU-IBGZPJMESA-N	411.461	4.627	10	40	HJCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)cc1	222854199	KFXOKTMWMPTCRW-YADHBBJMSA-N	406.555	4.570	10	40	HJCB	
CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCCC3)c3ccccc23)c2ccccc21	4516938	YLIBTSIADATCFP-CJLVFECKSA-N	413.521	4.561	10	40	HJCB	
COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(c2ccc(C)c(C)c2)C1=O	4903271	SHNGTHPBTVGWIO-GRSHGNNSSA-N	415.536	4.735	10	40	HJCB	
Cc1ccc(C2=NN[C@@H](c3cc(Br)cc(Br)c3O)C2)cc1	5546098	BTBGYDXXJQUSMY-OAHLLOKOSA-N	410.109	4.664	10	40	HJCB	
O=S(=O)(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(Cl)cc1F	8036112	VHSYAODJWIZEOK-UHFFFAOYSA-N	404.822	4.682	10	40	HJCB	
COc1ccc(CCN(C)C(=O)c2cc(C)n(-c3ccccc3F)c2C)cc1OC	48374778	QCOHHIFDBWSYJF-UHFFFAOYSA-N	410.489	4.565	10	40	HJCB	
COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCCCC4)cc3)ccc2c1	223216106	HQMNFDOXSLFSKP-SFHVURJKSA-N	424.566	4.878	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@H](C)NC(=S)Nc3ccc4c(c3)OCCO4)cc2)C1	260735424	ICOMZXZUWOESNX-IRXDYDNUSA-N	411.571	4.742	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1	409023934	NRAUMNHTYPPZHC-UNOMPAQXSA-N	410.901	4.592	10	40	HJCB	
CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCCCCCCCC2	2753570	KDOMMGRSVFMUFT-UHFFFAOYSA-N	409.548	4.948	10	40	HJCB	
COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21	5738364	XBYNYXOFLODSKE-FHSNZYRGSA-N	401.806	4.992	10	40	HJCB	
CCOc1ccc(/C=C2\C(=O)N([C@H](C)c3ccccc3)C(C)=C2C(=O)OC)cc1OC	6964045	ZSFFKQRIAZTNAP-ZHTGWBIJSA-N	421.493	4.528	10	40	HJCB	
Cc1nc([C@@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)cc2)sc1C	19559882	WMKNZCXRGZKRBP-OAQYLSRUSA-N	413.612	4.732	10	40	HJCB	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccccc12	103918185	BFBCAJFOUUPQAU-ULJHMMPZSA-N	416.525	4.786	10	40	HJCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1cccc(F)c1	108925654	XIEQCUHFFIDWMP-MOSHPQCFSA-N	422.843	4.520	10	40	HJCB	
CCN(CCCNC(=S)Nc1ccc(OC)c2ncccc12)c1ccc(C)cc1	225735390	PLDJSZSPUUBDIT-UHFFFAOYSA-N	408.571	4.755	10	40	HJCB	
CC(=O)Oc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)cc1	665263	CIIGTBGUZGMLID-BUVRLJJBSA-N	413.477	4.826	10	40	HJCB	
O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1c1cccc(C(F)(F)F)c1	1194759	CEWYVMSQSILEPR-CHHVJCJISA-N	409.410	4.840	10	40	HJCB	
CCCCN1CCc2cc(/C=C3/C(=O)N(c4cccc(C)c4)C(=S)N=C3O)ccc21	5100517	PCILAYSIDNTHNW-HMMYKYKNSA-N	419.550	4.829	10	40	HJCB	
O=C(O)C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S	5214740	NRHSSNNUTAQMQT-CCAPLTMGSA-N	403.912	4.757	10	40	HJCB	
C[C@@H](NC(=O)C1(c2ccccc2F)CCOCC1)c1ccc(N2CCCCC2)cc1	19662195	RRTNMGWVJSMSPC-LJQANCHMSA-N	410.533	4.742	10	40	HJCB	
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(C(=O)N(C)C)cc3)cc2)C1	225671391	YSYIKQPTUILWHK-QZTJIDSGSA-N	424.614	4.672	10	40	HJCB	
CCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)C(C)=C2C(=O)OC)cc1OCC	408996793	FBAIKEMEDNVVLC-HKWRFOASSA-N	421.493	4.751	10	40	HJCB	
COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(C)c2)c1C	409002897	QCNIPNHCEICFHJ-XKZIYDEJSA-N	406.526	4.792	10	40	HJCB	
Cc1cc2nc(-c3cc(NS(=O)(=O)c4ccccc4)cc(C)c3O)oc2cc1C	12951083	UMAWYAJFIORIAE-UHFFFAOYSA-N	408.479	4.926	10	40	HJCB	
COc1ccc(/C=C2/SC(=S)N(CNc3ccc(C)c(Cl)c3)C2=O)cc1	4611261	WNNYCGSDQYFTQQ-RQZCQDPDSA-N	404.944	4.928	10	40	HJCB	
COc1ccc(OCCn2cc(/C=C3\SC(=S)N(C)C3=O)c3ccccc32)cc1	33651521	KUUVXXNRZWEUPX-MOSHPQCFSA-N	424.547	4.560	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C/c3c(F)cccc3Cl)C(C(=O)OC)=C2C)cc1	408796434	OEMXOMOVGNWBDM-SFQUDFHCSA-N	415.848	4.755	10	40	HJCB	
Cc1cccc(C)c1NC(=O)[C@H](c1ccc(N(C)C)cc1)N1C(=O)C[C@@H]1c1ccco1	1083542	CUDHQDOBFYDTCA-YKSBVNFPSA-N	417.509	4.616	10	40	HJCB	
Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccc(F)cc1	12285154	IGYRHCDSWPUHCP-HRRBDRACSA-N	409.490	4.508	10	40	HJCB	
CCCCN1CCc2cc(/C=C3\C(=O)N(c4ccc(C)cc4)C(=S)N=C3O)ccc21	33345839	HKDURSBMIKYMPE-HKWRFOASSA-N	419.550	4.829	10	40	HJCB	
CCOC(=O)c1cccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1	260737750	NZQKNZLVCYXLJD-KRWDZBQOSA-N	411.571	4.586	10	40	HJCB	
COc1cccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(O)cc3)C2=O)c1	408765601	WNPLQFDPUXFHPM-KGENOOAVSA-N	404.853	4.889	10	40	HJCB	
CCCCOc1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1OC	2674216	GBHSOXNYANZUKA-LDADJPATSA-N	403.525	4.869	10	40	HJCB	
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc(Cl)c1	4536631	OIPDYFSJMSYPEL-RVDMUPIBSA-N	406.916	4.553	10	40	HJCB	
O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1c1ccccc1Br	8828332	XGJUQXSURVHCJS-ZROIWOOFSA-N	416.325	4.731	10	40	HJCB	
O=S(=O)(Nc1nc(-c2ccccc2Cl)cs1)c1cccc2cccnc12	28226779	QHYUXKBVCCWYFA-UHFFFAOYSA-N	401.900	4.813	10	40	HJCB	
CCSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N=C2S1	33474589	XWKMQALQKZPVSN-JMCWYTMQSA-N	423.567	4.732	10	40	HJCB	
COc1ccc(/C=C2\SC(=S)NC2=O)cc1OC(=O)c1cccc2ccccc12	408886894	JRWKIHRZKHATCG-UNOMPAQXSA-N	421.499	4.556	10	40	HJCB	
CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C(C(=O)OC)=C1C	3651932	MXGPHDAMEXGHDS-ODLFYWEKSA-N	412.917	4.748	10	40	HJCB	
CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\c1c(C)nn(-c2ccc(Cl)cc2)c1O	36033810	MWADWKMBLUSMDP-NDENLUEZSA-N	420.900	4.963	10	40	HJCB	
CCOC(=O)/C=C(\C)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cc(Cl)ccc1O	80325284	PLQIWNVEZRJDAZ-YFPIXMDGSA-N	402.853	4.803	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)NC2=S)cc1Cl	686745	YYELPRIVNMLCRM-SFQUDFHCSA-N	422.893	4.740	10	40	HJCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1C	2671706	MNZYWIHZIZGRPN-UNOMPAQXSA-N	421.547	4.687	10	40	HJCB	
CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C(=O)N=C2S1	4661142	FDPBUZSZRJFMLJ-BPHBXOPHSA-N	405.527	4.740	10	40	HJCB	
Cc1ccc2c(=O)cc(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)oc2c1	6804464	DULPCBWATBLNIO-UHFFFAOYSA-N	416.477	4.603	10	40	HJCB	
Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C\c2cn(C)c3ccccc23)SC1=S	35040102	VGBXXNGGZBJPNN-VCHYOVAHSA-N	408.504	4.591	10	40	HJCB	
CCCn1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc21	409331731	OSKIFMAEWZYHCO-UYRXBGFRSA-N	421.547	4.598	10	40	HJCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccn1	222909351	MSZIUYMQBBAIOH-YADHBBJMSA-N	405.571	4.513	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)cc1	5178520	HXDHHBCBPXSYHO-LDADJPATSA-N	401.509	4.508	10	40	HJCB	
CCCCCOC(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	5370945	GZLHUDCYYUMPNL-AWPVNJRXSA-N	403.569	4.958	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1	408903115	UQYMIPGOQODWHU-HZHRSRAPSA-N	412.445	4.770	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OC	1416342	KIGNKSVINYHQRQ-WQRHYEAKSA-N	415.536	4.735	10	40	HJCB	
Cc1cc(C(=O)COC(=O)c2ccccc2Cl)c(C)n1-c1ccc2c(c1)OCO2	3507268	QEGQTMYBGHTLKP-UHFFFAOYSA-N	411.841	4.516	10	40	HJCB	
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1OC	33337825	IJLDJHGVKGGDKF-UYRXBGFRSA-N	414.552	4.566	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CCc3ccc4c(c3)OCCO4)cc2)C1	260504277	GGIPJEVPABBAOE-OALUTQOASA-N	408.542	4.504	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccccc3)C2=O)cc1OC	408758724	PUDYNFFRMPIOIN-XSFVSMFZSA-N	402.425	4.677	10	40	HJCB	
CCc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1	5372242	PJOLVJFSOUWUFN-ZHZULCJRSA-N	413.564	4.710	10	40	HJCB	
Cc1cc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c(C)n1-c1ccc(F)cc1	5694643	OXDZPHQJJQBZAY-HSZRJFAPSA-N	420.484	4.584	10	40	HJCB	
COc1cccc(C(=O)CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)c1	32883930	BNYNCCSVVXRUAY-FQEVSTJZSA-N	408.523	4.713	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C(=O)N=C2S1	34262607	PBMSRPKZGWQRQP-OOYUFVOFSA-N	409.490	4.653	10	40	HJCB	
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1C1CCCC1	408771397	HSPSWHLMXXPQKI-YBFXNURJSA-N	411.889	4.540	10	40	HJCB	
CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1	225665224	WHFJPNLIXDFELI-KRWDZBQOSA-N	411.571	4.901	10	40	HJCB	
Cc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)s1	5618621	LEQITZVEUCYRNX-UHFFFAOYSA-N	404.516	4.805	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccnc4)c3C)N(C)C2=S)cc1C	6390526	AWNRTQQINFZYKJ-XKZIYDEJSA-N	416.550	4.710	10	40	HJCB	
O=C(O)c1cccc(N2C(=O)/C(=C/C(Cl)=C/c3ccccc3)SC2=S)c1	54152858	PULRVWIUSRQDIW-NDNZGNGMSA-N	401.896	4.913	10	40	HJCB	
CCOc1cc(N2CCCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21	260786476	XKHXWAPNRHRMQO-URZJWIJPSA-N	408.571	4.670	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(F)cc2)cc1	408764862	NLWURTDMRFXDRY-KGENOOAVSA-N	417.396	4.577	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(Br)cc1	408892207	HGLITHSBWFSVAL-PDGQHHTCSA-N	412.283	4.635	10	40	HJCB	
Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c2C)cc1C	409074001	PBWAKJOENBXTTP-YDZHTSKRSA-N	417.484	4.943	10	40	HJCB	
CN1C(=O)/C(=C/Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)SC1=S	618254615	FSVOFNANYOMFGF-GHXNOFRVSA-N	416.380	4.784	10	40	HJCB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1c(C)nn(-c2ccccc2C)c1O	659509	SMEYRESXCYUOSX-PDGQHHTCSA-N	406.873	4.654	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OC	1239425	DKXGBPRLIZNKQZ-CXUHLZMHSA-N	421.927	4.772	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3cc([N+](=O)[O-])ccc3Cl)SC2=S)cc1	113830469	SASGWLUDNQRLRK-OQLLNIDSSA-N	406.872	4.663	10	40	HJCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(Cl)cc2Cl)C1=O	409217562	QCBKXVAAEMXTRO-KPKJPENVSA-N	409.656	4.622	10	40	HJCB	
CCN1C(=O)/C(=C/c2ccc(OC)c(COc3cccc(F)c3)c2)SC1=S	2772075	LMJZCSVAXHDOCV-ZDLGFXPLSA-N	403.500	4.634	10	40	HJCB	
O=C1C(=CNC2CCCCCC2)C(=O)N(C2CCCCC2)C(=O)N1C1CCCCC1	6760962	NMDHYGBBNPAVOT-UHFFFAOYSA-N	415.578	4.639	10	40	HJCB	
O=C1/C(=C\c2ccc3c(c2)OCCO3)SC(=S)N1c1cccc(C(F)(F)F)c1	9434071	CEOLWEVNCUTVNH-CXUHLZMHSA-N	423.437	4.882	10	40	HJCB	
Cc1cc(-c2cnc(C(C)(C)C)nc2C2CCN(Cc3ccc(N)cc3)CC2)on1	72353525	BUERNTULJPTHIT-UHFFFAOYSA-N	405.546	4.699	10	40	HJCB	
COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1C(C)C	409146419	SORUIFDLHABYKH-XDHOZWIPSA-N	422.550	4.575	10	40	HJCB	
COc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1	35646767	IYCJJCRPMHRUBJ-UNOMPAQXSA-N	421.434	4.946	10	40	HJCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2)N1c1ccc(Cl)cc1	408753696	KJGSSWBWVKHMGO-XDHOZWIPSA-N	402.837	4.903	10	40	HJCB	
CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc2c(c1)OCCO2)CO3	2113254	PFRVFFSVVZIHFJ-UHFFFAOYSA-N	407.466	4.572	10	40	HJCB	biogenic
Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccccc1	5249970	LAQFRAVFAHPWSW-ZXTIBJMCSA-N	405.527	4.759	10	40	HJCB	
COc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCc1ccc(F)cc1	13940040	SZWMQQDHKCDUBT-OVCLIPMQSA-N	409.891	4.556	10	40	HJCB	
O=C1/C(=C\NC2CCCCCC2)C(C(F)(F)F)=NN1c1nc2ccccc2s1	103538211	OBSFHQVNVFVYRV-QBFSEMIESA-N	408.449	4.758	10	40	HJCB	
S=C(NCc1ccc(N2CCCCC2)cc1)Nc1cccc(Br)c1	225415582	BSBUYLYEPQSCCP-UHFFFAOYSA-N	404.377	4.926	10	40	HJCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccc(Cl)cc2)N1c1ccc(O)cc1	408764163	SCBRCNHAZNOONB-DEDYPNTBSA-N	419.824	4.788	10	40	HJCB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1cccc(Cl)c1Cl	408891925	FMAUFMPPUUAGIH-WJDWOHSUSA-N	402.277	4.866	10	40	HJCB	
CN(C)c1ccc([C@@H]2N=C(O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)cc1	3647474	ZQYOXKIJZZAKLY-JOCHJYFZSA-N	418.566	4.801	10	40	HJCB	
CCOc1ccc(C2=C/C(=C\c3ccc(N(C)C)c(Br)c3)C(=O)O2)cc1	4663383	LDXJFWQGXALPMU-LFIBNONCSA-N	414.299	4.895	10	40	HJCB	
CCCn1cc(/C=C2/C(=O)N(c3ccccc3OC)C(=S)N=C2O)c2ccccc21	5033107	OBVIASREIXQBAC-GHRIWEEISA-N	419.506	4.732	10	40	HJCB	
CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O	5947724	FGEQTGCIMYOCAJ-UKTHLTGXSA-N	406.269	4.723	10	40	HJCB	
Cc1cc(C(=O)CSc2nc3ccccc3n2C)c(C)n1-c1ccc2c(c1)OCO2	6025175	LPVLSRKXOJGREN-UHFFFAOYSA-N	419.506	4.685	10	40	HJCB	
COc1cc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)ccc1O	10215502	RNSMZTZHSGGJRT-XMSQKQJNSA-N	407.857	4.692	10	40	HJCB	
Cc1c(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c2ccccc2n1C	409094933	GRXBYEJJIFRGKB-WOJGMQOQSA-N	408.504	4.591	10	40	HJCB	
Cc1c(O)c(CN(C)C[C@H]2CCCN3CCCC[C@@H]23)cc2c1oc(=O)c1ccccc12	1565519824	IUHFXUKQOWDGLR-JPYJTQIMSA-N	420.553	4.657	10	40	HJCB	biogenic
CCOc1cccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)N=C2O)c1	33316171	HIEHQMIFYVYWSU-ZROIWOOFSA-N	405.237	4.899	10	40	HJCB	
COc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1OC	217924640	SCULMEFIUVLDFN-WQTYRNQXSA-N	408.542	4.831	10	40	HJCB	
COc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1C(C)C	223703256	HTKYUJCLBVAOMF-GOSISDBHSA-N	416.587	4.533	10	40	HJCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cl)cccc3Cl)C2=O)cc1Cl	409218060	YJNLNYJRIQZPAA-XYOKQWHBSA-N	409.656	4.622	10	40	HJCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)C1=O	409222471	XGXMZMJPEGUZAZ-LFIBNONCSA-N	424.815	4.714	10	40	HJCB	
Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccc(Br)cc1	3389603	GMNPBGVPQVHAFQ-UHFFFAOYSA-N	408.346	4.683	10	40	HJCB	
COc1ccc2c(c1)N(C)/C(=C1/SC(=S)N(c3ccc(C)cc3)C1=O)S2	4048256	MGBNKABLASDMMB-VLGSPTGOSA-N	400.550	4.780	10	40	HJCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1ccc(Br)cc1	9233952	MWNOCHFVWIGMAI-OVCLIPMQSA-N	420.309	4.584	10	40	HJCB	
CCOc1cccc([C@H]2NC(=O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)c1O	17085956	WWBZNMJMFAHFPJ-BUXKBTBVSA-N	400.544	4.858	10	40	HJCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4)N=C3C)c2C)cc1	408741578	JUEJYXRKJWSHBX-HAHDFKILSA-N	413.477	4.687	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2F)cc1	408757822	CRTWIPRBELQEQO-KGENOOAVSA-N	417.396	4.577	10	40	HJCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4C)o3)C2=O)cc1	408779055	PZKPCPPNSHQZSN-XDHOZWIPSA-N	420.852	4.883	10	40	HJCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OC(C)=O	409333756	VNTZXGSBZWCDHI-WQRHYEAKSA-N	417.483	4.556	10	40	HJCB	
O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409342403	DMWVHGRRWNJQOW-VGOFMYFVSA-N	421.843	4.562	10	40	HJCB	
CN(C)c1ccc(/C=C/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1	1156567	QEDZTTJHROZHPN-DWLNNUISSA-N	411.508	4.623	10	40	HJCB	
Brc1ccc2nc(-c3ccccn3)c(Nc3ccc4c(c3)OCO4)n2c1	4597436	RLDFZKKRSZTUKA-UHFFFAOYSA-N	409.243	4.631	10	40	HJCB	
O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1cccc(Cl)c1Cl	12692998	XSVSZJNAKOGIQQ-UHFFFAOYSA-N	413.307	4.810	10	40	HJCB	
CCN(CC)C(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1	21333668	BEZPLSCQFOEIAZ-UHFFFAOYSA-N	407.489	4.968	10	40	HJCB	
C[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1	218124696	RFNZLCJXMVFQAW-CABCVRRESA-N	401.894	4.976	10	40	HJCB	
COc1ccc(C2=N/C(=C/c3ccco3)C(=O)N2c2ccc(Br)cc2)cc1	408757973	FDAISBVWEZVOOH-CPNJWEJPSA-N	423.266	4.885	10	40	HJCB	
COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	409020756	SVWSUANUDPVVMS-JAIQZWGSSA-N	412.917	4.829	10	40	HJCB	
CN(C)c1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1	12558768	LJBXFXVMCZMFSM-YBEGLDIGSA-N	419.369	4.921	10	40	HJCB	
O=C(O)c1ccccc1/N=N/[C@H]1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	8417191	WQGIOSWMNJENAS-FYTMPNSFSA-N	416.462	4.633	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C(=O)N=C2S1	12285233	RLNCCNWECJLQNH-FZAWDKCWSA-N	422.485	4.824	10	40	HJCB	
CCn1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)c2ccccc21	33327008	UNYIUZKYGNLHBW-BOPFTXTBSA-N	409.898	4.986	10	40	HJCB	
Cc1cc(N2CCCC2)c(F)cc1/C=C1/C(=O)N(c2cccc(C)c2C)C(=O)N=C1O	33702448	OIIHWOMTODNVMA-LDADJPATSA-N	421.472	4.858	10	40	HJCB	
COC(=O)c1ccccc1N/C(C)=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1	103921311	SXFRUAMDHYHLON-XLNRJJMWSA-N	411.461	4.610	10	40	HJCB	
O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1	2431071	QPAVRIRANIEAKR-XNTDXEJSSA-N	409.294	4.556	10	40	HJCB	
COc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21	6721759	VPLWSDJGHSBFKG-XMSQKQJNSA-N	407.857	4.692	10	40	HJCB	
CCOc1ccc(NC(=O)Cn2c(CCC(=O)O)ccc2-c2ccc(C)cc2)cc1	6811738	SAJSVGZUHUHGGG-UHFFFAOYSA-N	406.482	4.518	10	40	HJCB	
Cc1cc(CN[C@@H](C)c2ccc(-n3ccnc3)cc2)c(C)n1-c1ccc2c(c1)OCO2	8720011	FWHNWKCHDNILSU-SFHVURJKSA-N	414.509	4.859	10	40	HJCB	
COc1ccc2c(/C=C3/SC(=S)N(c4ccc(NC(C)=O)cc4)C3=O)c[nH]c2c1	9531219	SSAGDPIYFOQWQW-DJKKODMXSA-N	423.519	4.541	10	40	HJCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1cccc(F)c1	59135299	COTXWVNDQVQKQM-RGVLZGJSSA-N	421.403	4.879	10	40	HJCB	
CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1	219358503	NZLQBXWAUCBSCK-CYFREDJKSA-N	410.558	4.966	10	40	HJCB	
COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1	222831310	ZMHNYJAJLNTLME-DHIUTWEWSA-N	420.582	4.879	10	40	HJCB	
CCOc1ccccc1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O	408877868	XOIYWXWLSQFLCU-UHFFFAOYSA-N	412.445	4.669	10	40	HJCB	
CCCCOc1ccc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1	2368120	XJRNKQUZCMEAKU-RELWKKBWSA-N	421.566	4.658	10	40	HJCB	
COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CC2)cc1	6967636	GWEZVEFMNMFTFE-UHFFFAOYSA-N	423.516	4.873	10	40	HJCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc2[nH]c3ccccc3c2c1	408898368	LSQSCKWWXIHJJJ-LDADJPATSA-N	415.836	4.641	10	40	HJCB	
CN(C)c1ccc(/C=C2/SC(Nc3ccccc3Br)=NC2=O)cc1	6871473	PIYWXXJYWPNFAP-LFIBNONCSA-N	402.317	4.598	10	40	HJCB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc21	208221398	FIXAGHFZGYAHAL-DKNZLLBESA-N	407.489	4.641	10	40	HJCB	
Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(N4CCC[C@H](C)C4)cc3)cc2)n1	260899544	LZKCCYQGRJQZIO-IBGZPJMESA-N	416.569	4.715	10	40	HJCB	
Cc1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3F)SC2=S)c1C	1218380	KFYALJVXHPZUNS-PDGQHHTCSA-N	414.527	4.673	10	40	HJCB	
COc1ccc2c(CC(=O)OCC(=O)c3cc(C)n(-c4ccccc4)c3C)coc2c1	6605074	SEOAUSFKVLBWDO-UHFFFAOYSA-N	417.461	4.818	10	40	HJCB	
COc1ccc(C2=NN(C(=O)NC3CCCCC3)[C@@H](c3ccccc3O)C2)c(OC)c1	13943837	REUGPVJFALPFHG-OAQYLSRUSA-N	423.513	4.603	10	40	HJCB	
CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F	14099561	VWZTUXVYMPEGBW-UHFFFAOYSA-N	420.884	4.636	10	40	HJCB	
COc1cccc2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)nc12	54360842	HZUPSGHVGQQUJP-RGEXLXHISA-N	406.532	4.687	10	40	HJCB	
Cc1cc(C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)c(C)n1-c1ccccc1F	58225616	HFOYQRVXVNWYNX-UHFFFAOYSA-N	419.456	4.529	10	40	HJCB	
CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)N(C)c2ccccc2)cc1	101743345	REHIRLWIZZMGLP-OCEACIFDSA-N	416.481	4.988	10	40	HJCB	
CC[C@@H](C)n1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21	408918974	RKDMDIABCBECFR-VCRXTVNUSA-N	421.497	4.583	10	40	HJCB	
COC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CC[C@@H](C(C)(C)C)C2	4614197	BQUYVTSRZJNFJW-RDBSUJKOSA-N	421.559	4.515	10	40	HJCB	
COc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC	12652765	FTUZIYMBEMTSTA-LZYBPNLTSA-N	409.891	4.902	10	40	HJCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3ccc(F)cc3)C2=O)cc1	17082174	JNKPUXGDERERNM-JWGURIENSA-N	401.441	4.971	10	40	HJCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccccc1	17373733	JSKFIWGVGSFGCQ-FOWTUZBSSA-N	402.928	4.570	10	40	HJCB	
COc1cc(/C=C2/SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OC(F)F	97990633	QBQFBAJMVLYTSV-LICLKQGHSA-N	404.438	4.996	10	40	HJCB	
O=C1/C(=C\c2ccccc2)N=C(c2ccccc2Br)N1c1ccc(O)cc1	408752684	FZYNBLWKTMBIBM-XSFVSMFZSA-N	419.278	4.989	10	40	HJCB	
Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccccc1Br	924794	FHRASFRROXGDJA-UHFFFAOYSA-N	420.307	4.720	10	40	HJCB	
CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(Cc3ccccc3O)C2)cc1	20503251	CWHNLIQWXKMTKB-FXAWDEMLSA-N	418.562	4.562	10	40	HJCB	biogenic,in-vitro
CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C	222875659	NOTFGAUTJZBZRG-VXKWHMMOSA-N	406.555	4.577	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1	408902632	PAHXKIGETVJFNU-HZHRSRAPSA-N	413.433	4.980	10	40	HJCB	
CN1C(=O)/C(=C/c2cn(CCOc3ccccc3F)c3ccccc23)SC1=S	409133911	UXZMHHYQGGXSOE-UNOMPAQXSA-N	412.511	4.690	10	40	HJCB	
COc1c(Cl)cc(Cl)cc1C[C@H]1SC(=S)N(Cc2ccco2)C1=O	8106473	AWVKWODPOMJTPH-CYBMUJFWSA-N	402.324	4.567	10	40	HJCB	
O=C(O)c1ccc(N2C(=O)/C(=C/C(Cl)=C/c3ccccc3)SC2=S)cc1O	8828322	PSFLIIRWVVTFEC-FNOQKXNMSA-N	417.895	4.619	10	40	HJCB	
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1cc(Cl)ccc1O	13549118	ZXVYREMOJQRTIR-ZROIWOOFSA-N	406.667	4.527	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C	13785542	GMSNHQCCOINLRK-LPYMAVHISA-N	400.438	4.808	10	40	HJCB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1ccc(Cl)cc1	103917858	QDWACGCXYNDJAH-ZHZULCJRSA-N	412.877	4.815	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1	660142	JALFAYRVGLMLKK-JCMHNJIXSA-N	404.510	4.753	10	40	HJCB	
CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2C)SC1=S	1183518	LOMOYWHRYRZNEU-WQRHYEAKSA-N	414.508	4.703	10	40	HJCB	
CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)nnc1-c1ccco1	3347946	RLAGRSUOYOWGBE-UHFFFAOYSA-N	406.511	4.941	10	40	HJCB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(Br)c([N+](=O)[O-])c1	5546939	GNHRZNGNQLYZJK-SXGWCWSVSA-N	414.259	4.780	10	40	HJCB	
CN(C)c1ccc(/C=c2/sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1	8740598	XLPVGSWQLCNHKG-OQKWZONESA-N	423.541	4.704	10	40	HJCB	
O=C1N=C(Nc2cccc(I)c2)S/C1=C\C=C\c1ccco1	8821944	YVRVXTBQFTVDSE-NTOUICHMSA-N	422.247	4.523	10	40	HJCB	
CC1CCN(c2ccc([C@H](C)NC(=O)c3ccc(-n4cnnc4)cc3Cl)cc2)CC1	36752723	BGEDFIAUXBPPCR-KRWDZBQOSA-N	423.948	4.648	10	40	HJCB	
O=C1/C(=C\c2cccnc2)SC(=S)N1c1ccc(Br)c(Cl)c1	409327993	OXOKZAZDOYWGKO-AWNIVKPZSA-N	411.733	4.903	10	40	HJCB	
CC1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4C)c4ccccc34)C(=O)N=C2S1	4091818	QZFLBYHKNKLVDH-IBERAMNCSA-N	413.506	4.637	10	40	HJCB	
COc1cc2c(cc1NCC(=O)Nc1cccc([N+](=O)[O-])c1C)oc1ccccc12	11619301	KABJBNVXHNHUCW-UHFFFAOYSA-N	405.410	4.862	10	40	HJCB	
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc3cccc(Cl)c3n2)SC1=S	13719268	YSMSNURKAJQZML-GWQWUEFDSA-N	420.943	4.733	10	40	HJCB	
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2O)n2c(nc3ccccc32)N1	14607234	RTYIWOMQHQYRAY-JOCHJYFZSA-N	414.440	4.809	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(O)cc3)C2=O)cc1OC	408753182	IMALNIHFLBJPIW-KGENOOAVSA-N	414.461	4.552	10	40	HJCB	
C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O	16733913	WZIDBRLQBSPEKV-CFFVULROSA-N	423.515	4.524	10	40	HJCB	
O=C1/C(=C/c2coc3ccccc3c2=O)SC(=S)N1c1ccc(F)c(Cl)c1	20533758	BKNPKQIKQTVZKE-APSNUPSMSA-N	417.870	4.991	10	40	HJCB	
COc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OC	219281618	SVWFIZGSHJCHEX-IBGZPJMESA-N	410.558	4.750	10	40	HJCB	
CCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(c1ccc(OC)c(OC)c1)C3	9293542	FYNFMWIEBDWURZ-UHFFFAOYSA-N	415.873	4.773	10	40	HJCB	
CCOc1ccc(CNC2(c3ccccc3OC)CCCC2)cc1Cn1ccnc1	12116970	AEGLBECEGFPJEQ-UHFFFAOYSA-N	405.542	4.898	10	40	HJCB	
Cc1oc2c(CN3C[C@H](C)O[C@H](C)C3)c(O)ccc2c(=O)c1-c1ccccc1Cl	14182630	BHFGZDIJYNCEKK-OKILXGFUSA-N	413.901	4.737	10	40	HJCB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(Cl)cc12	103916834	YXPAVYFMLWYWSD-BKUYFWCQSA-N	410.880	4.789	10	40	HJCB	
Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)NC2=S)c1	409242378	RMJCPVQPGGWZKW-XDHOZWIPSA-N	417.534	4.670	10	40	HJCB	
CC(C)(C)c1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc(C(C)(C)C)c1O	13547870	ZOFPENMQBWAWPW-PTNGSMBKSA-N	421.584	4.663	10	40	HJCB	
C/C(NC1CC(C)(C)NC(C)(C)C1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1	17090833	XWNOPYARNSTECY-PYCFMQQDSA-N	416.569	4.610	10	40	HJCB	
COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C)o2)c1C	408902978	TUABMBBKZBQQJE-KGENOOAVSA-N	400.434	4.848	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1	408905319	XDOGPBFGMYBZCE-KGENOOAVSA-N	413.433	4.980	10	40	HJCB	
COc1cccc(-n2c(C)cc(/C=C3\NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c1	409075107	ULITZFYNBGKIBH-NHDPSOOVSA-N	421.884	4.853	10	40	HJCB	
O=C(NN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S)c1ccccc1F	1465902	UHZYIXLSKKQGTH-LDADJPATSA-N	408.479	4.525	10	40	HJCB	
CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)NCCC(=O)O)cc3[C@H]3C=CC[C@H]32)cc1	4623600	UTOVQTGYUDRRIQ-ROKPMTFOSA-N	404.510	4.841	10	40	HJCB	
COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4ccc(F)cc4)C3=O)n2)cc1	100510858	SGGLOCKPIPARBG-IUBFCHALSA-N	409.446	4.833	10	40	HJCB	
C[C@H]1CCCN(c2ccc(CNC(=S)Nc3cccc(N4CCCC4=O)c3)cc2)C1	225692199	OVSQXTRDTGJHBH-SFHVURJKSA-N	422.598	4.536	10	40	HJCB	
CCOc1ccc(NCc2cc(Br)cc(Br)c2O)cc1	409114818	QKGHPXWHLUUSEZ-UHFFFAOYSA-N	401.098	4.928	10	40	HJCB	
CCOc1cc(/C=C2/SC(Nc3ccccc3Br)=NC2=O)ccc1O	1452243	OXUHOWKHECDFBS-MHWRWJLKSA-N	419.300	4.636	10	40	HJCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1	16672975	YJTSBMGQOLYEHW-NUTLWWKQSA-N	408.548	4.863	10	40	HJCB	
CN(CCCNC(=S)Nc1ccc(Br)c(Cl)c1)c1ccccc1	33776403	MJQYMAKAFLXRHT-UHFFFAOYSA-N	412.784	4.915	10	40	HJCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(N4CCCC4)cc3OC)N21	260766193	JGJQYFASUVSPRI-HVETUWLQSA-N	408.571	4.670	10	40	HJCB	
COC(=O)c1ccccc1N1C(=O)/C(=C/c2ccc(OC)cc2)C=C1c1ccccc1	408739667	YSQXYSCTMIPPJA-CAPFRKAQSA-N	411.457	4.953	10	40	HJCB	
O=C(O)c1cccc2cccc(-c3c4ccc(=O)c(O)c-4oc4c(O)c(O)ccc34)c12	5030634	NYLLADZYPUKUTH-UHFFFAOYSA-N	414.369	4.533	10	40	HJCB	
COC(=O)c1ccc(C)c(-c2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C)o2)c1	33890764	VPTXMMKWCKGOOR-KGENOOAVSA-N	400.434	4.848	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	409091609	QHWAIUVLBDBFFX-HZHRSRAPSA-N	413.433	4.980	10	40	HJCB	
CC(C)CC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)N=C2S1	13281099	HSPPTZXDFNNKCU-HLLBZCHMSA-N	411.918	4.796	10	40	HJCB	
CCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S	54360595	LFJCUSUUDNNXSL-FBKCMUNRSA-N	405.472	4.540	10	40	HJCB	
N=C1/C(=C/c2cccc(Br)c2)C(=O)N=C2SC=C(c3ccccc3)N12	4852473	ZMMISJHLYWQVHF-SRRKIXIOSA-N	410.296	4.753	10	40	HJCB	
CCCCc1ccc(N2C(=O)/C(=C3/C(=O)N(C)c4ccccc43)SC2=S)cc1	5552069	RQGRYCDKRNTFPB-HNENSFHCSA-N	408.548	4.782	10	40	HJCB	
Cc1ccc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)c(C)c2c1	6747975	LATQKBKEEFZIFM-OAQYLSRUSA-N	406.526	4.937	10	40	HJCB	
COc1ccc(-c2c(C(F)(F)F)oc3c(CN4CCCC4)c(O)ccc3c2=O)cc1	20438388	LZPPKIICRKXGFM-UHFFFAOYSA-N	419.399	4.789	10	40	HJCB	biogenic
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(C(=O)OCC)cc1	103918911	JGCIJSWMUSWVTG-JWGURIENSA-N	421.497	4.761	10	40	HJCB	
CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c(C)c1	225695988	IOJAAWGJQWWGPQ-KRWDZBQOSA-N	411.571	4.820	10	40	HJCB	
COc1ccc2cc(S(=O)(=O)NCc3ccc(N4CCC[C@H](C)C4)cc3)ccc2c1	260790520	CGZZZPGZGKLVON-SFHVURJKSA-N	424.566	4.563	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccccc2OC)cc1	408839843	AVDLNUYRDJWVBG-RCCKNPSSSA-N	402.425	4.677	10	40	HJCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	1237632	JXWWKRCXCLTRCA-GDNBJRDFSA-N	406.326	4.864	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3cn(C)c4ccccc34)SC2=S)c(OC)c1	6614968	UKRUBZPUXPEYLV-VXLYETTFSA-N	410.520	4.601	10	40	HJCB	
CCN1C(=O)/C(=C/c2ccc(OCCOc3cc(C)cc(C)c3)cc2)SC1=S	41108571	DLUZCEOMUFMRBH-ZHZULCJRSA-N	413.564	4.982	10	40	HJCB	
CCCOc1ccccc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O	408603033	PTJMTXVDGZDDQH-BOPFTXTBSA-N	400.481	4.789	10	40	HJCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc1	409170823	XJDUPKGXQBOQNI-XSFVSMFZSA-N	423.538	4.516	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1OC	2454162	ZXQWJJBCMJHXSW-FDIDITGRSA-N	415.536	4.675	10	40	HJCB	
CN(C)c1ccc(/C=C/C2=Nc3c(cc([N+](=O)[O-])cc3[N+](=O)[O-])NC(C)(C)C2)cc1	5174420	YVFYVEDIWIEYSI-VMPITWQZSA-N	409.446	4.949	10	40	HJCB	
Cc1ccc(S[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	11400382	WGEPCMISDDPCBH-OAHLLOKOSA-N	401.487	4.890	10	40	HJCB	
Cc1cccc(C2(C(=O)N[C@H](C)c3ccc(N4CCCCC4)cc3)CCOCC2)c1	19662260	YXWDERJMVKRKMK-OAQYLSRUSA-N	406.570	4.911	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)NC2=S)cc1	408740199	DTHLFJDYKGVYHD-LDADJPATSA-N	422.893	4.740	10	40	HJCB	
O=C(NC1=NN(c2ccccc2)C(=O)C1)c1sc2cccc(Cl)c2c1Cl	28226086	LRTDZVPBVYBESC-UHFFFAOYSA-N	404.278	4.688	10	40	HJCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccn1	222909481	MSZIUYMQBBAIOH-VXKWHMMOSA-N	405.571	4.513	10	40	HJCB	
Cc1cc(C)c(N/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C(F)(F)F)c(C)c1	8442735	ARYUCRNQOVOHEW-YBEGLDIGSA-N	418.375	4.781	10	40	HJCB	
CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)c1C	12587345	ICQDFCHDWSXLMO-SFHVURJKSA-N	406.482	4.670	10	40	HJCB	
CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(C)=CSC4=NC3=O)c2C)cc1	103604793	BXTISHSIQDHYHS-FNYLDBEHSA-N	406.511	4.660	10	40	HJCB	
CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCCC1	222595624	ULLNUJHLWSUSCZ-KNXBSLHKSA-N	408.571	4.670	10	40	HJCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(N(CC)CC)cc3OC)N21	260753154	BOBGOBLAKBPYCO-XGRCMKMKSA-N	410.587	4.916	10	40	HJCB	
O=C1Nc2ccccc2/C1=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O	2284642	RZLJAUQTZHKGAK-BUHFOSPRSA-N	407.303	4.722	10	40	HJCB	
COc1ccc(C(=O)COc2ccc3c(oc(=O)c4cc(OC)ccc43)c2C)cc1	4029287	LFFNCUYIIATKKY-UHFFFAOYSA-N	404.418	4.534	10	40	HJCB	biogenic
Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C(C)C	12464552	VUQKVESYGRULNK-NTEUORMPSA-N	420.296	4.659	10	40	HJCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)C(O)=NC2=S)cc1	38176808	OXTDSWVSLUZNPS-NTUHNPAUSA-N	421.305	4.933	10	40	HJCB	
CCCc1n[nH]c(SCC(=O)c2cc(C)n(-c3cccc(SC)c3)c2C)n1	40034450	VLWFGKMTOMGPTR-UHFFFAOYSA-N	400.573	4.862	10	40	HJCB	
CCN1/C(=C2/SC(=S)N(Cc3ccccc3)C2=O)Sc2ccc(OC)cc21	100200780	MWXYBLHXBCTYKH-ZPHPHTNESA-N	414.577	4.857	10	40	HJCB	
COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)C1=O	409241997	TWQMMUOAWCFVEY-KGENOOAVSA-N	421.522	4.715	10	40	HJCB	
COc1cccc(OCCn2cc(/C=C3\SC(=S)N(C)C3=O)c3ccccc32)c1	9434473	XPIOPIMGBLIHFY-NDENLUEZSA-N	424.547	4.560	10	40	HJCB	
CCCCN1C(=O)/C(=C/c2cc(OCC)c(O)cc2Br)SC1=S	36613147	IWEPCHCBEGIWTR-ZSOIEALJSA-N	416.362	4.555	10	40	HJCB	
O=C1/C(=C\c2cc(Br)ccc2O)C(C(F)(F)F)=NN1c1ccccc1	408974448	ZHGWBYXBCBQLOX-LCYFTJDESA-N	411.177	4.503	10	40	HJCB	
CCN1C(=O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC1=S	2185220	AMGIQLKWZMQMHE-ODLFYWEKSA-N	423.519	4.819	10	40	HJCB	
CN(C)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(Br)cc2)cc1	3634715	SOMFVEOYCTXOMK-UHFFFAOYSA-N	413.315	4.990	10	40	HJCB	
CC[C@H]1CCCCN1C(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	5370864	KKQFPMUQILRWOI-IPZASCCDSA-N	414.596	4.625	10	40	HJCB	
Cc1cccc(C)c1OCCCOc1cccc(/C=C2\SC(=S)N(C)C2=O)c1	33430137	RGCQLOPZFTUKJS-RGEXLXHISA-N	413.564	4.982	10	40	HJCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C	222876114	BXUBKYZMUTVCDI-FGZHOGPDSA-N	406.555	4.577	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccc(OC)cc2)cc1	408766469	RCIWCKGGLXNECH-RCCKNPSSSA-N	404.491	4.990	10	40	HJCB	
O=C(O)c1ccc([C@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@H]32)cc1	9010394	OEADRPRJNCGXTH-HDMKZQKVSA-N	417.246	4.816	10	40	HJCB	
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2-n2c(C)ccc2C)cc1	72216860	XOPKVRCEJFDQHV-JOCHJYFZSA-N	409.555	4.713	10	40	HJCB	
Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cccc(Cl)c1	408762831	MLIPURWPYNSLGR-JAIQZWGSSA-N	405.910	4.518	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1C	408903433	XTNLQZIMPLAMAT-HMAPJEAMSA-N	400.438	4.808	10	40	HJCB	
O=C(O)CN1CC=C(Cc2nc3c(F)c(F)cc(F)c3s2)c2c(Cl)cccc21	504500083	LJCGNNOMYMAFPO-UHFFFAOYSA-N	424.831	4.898	10	40	HJCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)o2)cc1	8842992	DZPHHBDHKRDCJZ-CPNJWEJPSA-N	418.474	4.714	10	40	HJCB	
N=C1/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12	9333829	IYNIQBKQSSSGTI-MYEDEKDNSA-N	424.791	4.781	10	40	HJCB	
Cc1nc(-c2cc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)n(C)c2)cs1	12749941	WBIQWXSFURZAIR-UHFFFAOYSA-N	408.571	4.720	10	40	HJCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=O)c1	13552832	ORQCSLNDJNYXIC-XDHOZWIPSA-N	420.852	4.883	10	40	HJCB	
CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccccc2O)n2c(nc3ccccc32)N1	14607230	AMZOEWRITNCDRI-HSZRJFAPSA-N	410.477	4.978	10	40	HJCB	
Oc1ccc2ccccc2c1CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1	16875789	OTLQYCBEBRKDBC-UHFFFAOYSA-N	401.432	4.672	10	40	HJCB	
CCOc1ccc(C2N(Cc3ccccc3O)CCN2Cc2ccccc2O)cc1	19328181	ZZEHDIBHVVJLKE-UHFFFAOYSA-N	404.510	4.513	10	40	HJCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1ccc(O)cc1	100423333	LDGMPUXNDUNULT-QNGOZBTKSA-N	420.538	4.611	10	40	HJCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)nc1	222928331	KJXPEPVOKAHCTD-DHIUTWEWSA-N	419.598	4.821	10	40	HJCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=O)c1	408741002	NMMJACQNXALUFX-LDADJPATSA-N	406.825	4.575	10	40	HJCB	
CN(C)c1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1	409167568	ISHYJFOQSBAXFB-GZTJUZNOSA-N	417.328	4.752	10	40	HJCB	
CC(C)COc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1	409338244	GLZHRYUQHFVYOB-OCKHKDLRSA-N	413.520	4.856	10	40	HJCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1	4690564	FVMKSXNVZJANMH-PDGQHHTCSA-N	415.536	4.681	10	40	HJCB	
CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2CCc2ccc(OC)cc2)c1O	7884461	ANMXIYXSKSNQHC-DEOSSOPVSA-N	418.493	4.609	10	40	HJCB	
COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C\c2ccc(N(C)C)cc2)cc1	18193418	DOPXOGUKZLTJMJ-ULJHMMPZSA-N	411.505	4.591	10	40	HJCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C	222954359	RNACXGDXKSUPEG-FCHUYYIVSA-N	405.571	4.657	10	40	HJCB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1	409198071	WHGPNINOCBMCCP-GDNBJRDFSA-N	419.264	4.658	10	40	HJCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)O)c3)o2)SC1=S	409213084	OHYLSUFQYLKHSW-WOJGMQOQSA-N	424.503	4.601	10	40	HJCB	
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(Cl)c3)C2=O)cc1	2323257	PUYVUYZQNPENFX-BOPFTXTBSA-N	416.955	4.878	10	40	HJCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C	222621002	RLBWTCVAASVFEX-ZLGUVYLKSA-N	403.555	4.782	10	40	HJCB	
COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c(OC)c1	225654431	NJLCLCNLZXSMQC-QGZVFWFLSA-N	413.587	4.988	10	40	HJCB	
C[C@@H]1CCCN(Cc2c(O)ccc3c(-c4cc5ccccc5oc4=O)cc(=O)oc23)C1	4082295	RBLPNGHTIAUSCA-OAHLLOKOSA-N	417.461	4.504	10	40	HJCB	biogenic
CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N=C2S1	5516049	AHXRDEWTAMTLJA-FNGBSHHDSA-N	405.527	4.740	10	40	HJCB	
Oc1ccccc1[C@H](CCc1ccccc1)NCc1cccc(CN2CCOCC2)c1	97101308	IFLVBXMFTAGEEU-SANMLTNESA-N	416.565	4.688	10	40	HJCB	
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1	224137720	DMRKECHTISNOQQ-UHFFFAOYSA-N	423.357	4.990	10	40	HJCB	
COc1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)c(OC)c1	409333229	RJEXLFUWAIYYHJ-RQZCQDPDSA-N	403.550	4.832	10	40	HJCB	
COc1ccc(N2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1	950102	CCQDRGSVHATBMH-UHFFFAOYSA-N	402.523	4.694	10	40	HJCB	
CCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1nc(C)c(C)s1	1355656	HORQLVWMLCUHGK-UHFFFAOYSA-N	416.572	4.773	10	40	HJCB	
COc1ccc(NC(=O)Cn2c(CCC(=O)O)ccc2-c2cccs2)cc1Cl	13842795	LQCKARCVQZQHHO-UHFFFAOYSA-N	418.902	4.535	10	40	HJCB	
COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)Nc2ccccc2)cc1	17089563	IQDUMLJYPHKKPV-QJOMJCCJSA-N	413.477	4.841	10	40	HJCB	
O=C1N=C(O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1c1ccccc1	1202674	YAFKJGQUNYLJJJ-KGENOOAVSA-N	416.408	4.911	10	40	HJCB	
CCOc1cc(N2CCCC2)ccc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21	222607016	XKHXWAPNRHRMQO-SSKFGXFMSA-N	408.571	4.670	10	40	HJCB	
Cc1cc(C)cc(Cc2ccc(/C=C3\C(=O)NC(=O)N(c4cccc(C)c4)C3=O)cc2)c1	408873098	RJHKHUGLXZASMO-LFVJCYFKSA-N	424.500	4.869	10	40	HJCB	
O=C(O)c1cccc(-c2ccc(/C=C3/SC(=O)N(CCc4ccccc4)C3=O)o2)c1	409202898	VDYUSCOEPRLGCB-XSFVSMFZSA-N	419.458	4.924	10	40	HJCB	
CCCCCCc1c(C)c2ccc(O)c(CN[C@@H](C(=O)O)[C@H](C)CC)c2oc1=O	2145802	YYECOTLRINGOBL-JLTOFOAXSA-N	403.519	4.519	10	40	HJCB	biogenic
COCCN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)C1=O	409211375	NAHZQXPRFSDZGL-YVLHZVERSA-N	424.444	4.796	10	40	HJCB	
O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C1\CCN(c2ccccc2)C1=O	1484671	VDIRQCDDCGAGET-DHZHZOJOSA-N	401.249	4.993	10	40	HJCB	investigational
Oc1ccccc1CN(Cc1ccco1)C[C@H](O)COc1cc(Cl)ccc1Cl	2626799	ONRBXXSMQNRJMC-KRWDZBQOSA-N	422.308	4.734	10	40	HJCB	
COc1ccc(OC)c(-c2c(C)c3ccc(O)c(CN4CCCCCC4)c3oc2=O)c1	4088929	QTDOGLUBOOLBGV-UHFFFAOYSA-N	423.509	4.867	10	40	HJCB	biogenic
COc1ccc(/C=C2/SC(=S)N(CNc3cccc(C)c3C)C2=O)cc1OC	16362127	HLTRUHGXOGFGTP-YBFXNURJSA-N	414.552	4.591	10	40	HJCB	
Cc1cc(C)cc(OCCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)c1	33391852	JOIPTZRSJGWRLB-ZHZULCJRSA-N	413.564	4.982	10	40	HJCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)cc1	222854266	KFXOKTMWMPTCRW-FCHUYYIVSA-N	406.555	4.570	10	40	HJCB	
Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N=C(S)N(C4CCCCC4)C3=O)c2C)cc1	1275729	ZOCNXQGLYHOCIJ-STZFKDTASA-N	421.566	4.773	10	40	HJCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NC(C)(C)C)cc1	9060392	LAJUFYJTUMRPRJ-RGEXLXHISA-N	420.538	4.718	10	40	HJCB	
CCOc1cc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)ccc1O	9188926	BRYUOVKXOHBJLG-JWGURIENSA-N	422.550	4.716	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3ccc4c(c3)OCCO4)cc2)C1	260504283	GGIPJEVPABBAOE-RBUKOAKNSA-N	408.542	4.504	10	40	HJCB	
Cc1cccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccccc2F)c1	408846658	YBPSGBKXCPYGQI-XSFVSMFZSA-N	401.397	4.877	10	40	HJCB	
Cc1ccc(-c2cnc(SCC(=O)N(C)Cc3ccc(Cl)s3)n2C)cc1	8724631	RKFZDZPFFFPDHM-UHFFFAOYSA-N	405.976	4.861	10	40	HJCB	
CC(=O)[C@@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3ccccc3N12	15996315	WRPSQJOSQVCKJA-CCDWMCETSA-N	419.480	4.709	10	40	HJCB	
S=C(NCc1ccc(N2CCCCC2)cc1)Nc1ccc(Br)cc1	225415644	YHPJORCYGGPQMO-UHFFFAOYSA-N	404.377	4.926	10	40	HJCB	
O=C1/C(=C\c2ccccc2F)SC(=S)N1CNc1ccc(Br)cc1	408721026	CPECSTCNVLWOCF-OQLLNIDSSA-N	423.332	4.859	10	40	HJCB	
CN(C)c1ccc(/C=C2/SC(=O)N(CCOc3ccc(Cl)cc3)C2=O)cc1	976746	GKDRGXJVNWCCNG-QGOAFFKASA-N	402.903	4.521	10	40	HJCB	
O=C(NCc1ccc(N2CCOCC2)cc1)c1ccccc1SCc1ccccc1	10113438	NSSRNLCUGQDTBU-UHFFFAOYSA-N	418.562	4.746	10	40	HJCB	
O=C(CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N1CCCCCC1	13816967	JWBYMPLAZZRJJT-VKAVYKQESA-N	423.003	4.724	10	40	HJCB	
CCOc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(Cl)cc1O	36613192	BQSREVMQZFFDHU-WQRHYEAKSA-N	419.955	4.888	10	40	HJCB	
COc1ccc2c(/C=C3\SC(=S)N(c4ccc(NC(C)=O)cc4)C3=O)c[nH]c2c1	54360808	SSAGDPIYFOQWQW-OCKHKDLRSA-N	423.519	4.541	10	40	HJCB	
CCOc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCc1ccccc1F	13895970	ZKHXHISPVYPSRB-CXUHLZMHSA-N	423.918	4.946	10	40	HJCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2cccc(C)c2)C1=O	16745593	RBRRQUSMDRNUMX-TWCBSTONSA-N	408.548	4.781	10	40	HJCB	
Cc1ccsc1/C=C1/SC(=S)N(NC(=O)C23CC4CC(CC(C4)C2)C3)C1=O	110422970	HUUKEDNEWXZAFZ-FRKPEAEDSA-N	418.609	4.505	10	40	HJCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=c3\sc4nc5ccccc5n4c3=O)cc21	208475915	PDXGGMVVRBNTJM-JMIUGGIZSA-N	421.953	4.742	10	40	HJCB	
O=C1/C(=C/c2ccc(N3CCCC3)cc2)C(O)=NC(=S)N1c1ccc(Cl)cc1	2820586	HMMOSTBUAOZXLO-QGOAFFKASA-N	411.914	4.612	10	40	HJCB	
COc1ccc(CCN2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)cc1	5371525	FFMXJWQPIJCZLN-MOSHPQCFSA-N	408.548	4.631	10	40	HJCB	
CCOc1cc(/C=C2\SC(=S)N(CC)C2=O)ccc1OC(=O)c1ccccc1	13602878	NDVWJUBUNCJFHX-AQTBWJFISA-N	413.520	4.526	10	40	HJCB	
Cc1c(C)n(-c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2O)c2ccccc12	16779677	MLPCMAMYRNONHH-UHFFFAOYSA-N	410.470	4.893	10	40	HJCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N(CC)CC)cc3OC)N21	222688202	BOBGOBLAKBPYCO-NPFVIJTESA-N	410.587	4.916	10	40	HJCB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c1C	408903008	UEFKXHXNTPQDHS-PXLXIMEGSA-N	413.477	4.687	10	40	HJCB	
O=C1/C(=C\c2cccc([N+](=O)[O-])c2)N=C(c2ccc(Cl)cc2)N1c1ccc(O)cc1	409084486	PNHKQIAJMYKHRW-DEDYPNTBSA-N	419.824	4.788	10	40	HJCB	
O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1c1ccc2c(c1)OCO2	409344442	JGHOBZVUSWJETR-VIZOYTHASA-N	420.309	4.584	10	40	HJCB	
O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccc(/N=N/c2ccccc2)cc1	5658715	SGDQOGCCPLANHT-CYYJNZCTSA-N	413.437	4.634	10	40	HJCB	
Cc1ccc(C)c(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)c1	13785653	QBTMWAKVNIJPNX-UNOMPAQXSA-N	405.548	4.987	10	40	HJCB	
CC(=O)n1cc(/C=C2/C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)c2ccccc21	17045874	IFQKHUPEEXMRRY-RQZCQDPDSA-N	421.840	4.770	10	40	HJCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c1C	222837894	NGHKLLBLRWFRID-LEWJYISDSA-N	405.571	4.573	10	40	HJCB	
C[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccc(N2CCC[C@@H](C)C2)cc1	225809581	BUJADCVLZRGEIV-RTWAWAEBSA-N	406.570	4.849	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc(OC)c1O	409339099	DXQCJKSOZPNMAF-UNOMPAQXSA-N	423.515	4.968	10	40	HJCB	
Cc1cccc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)c1	5098676	VIYZDJJNZQRART-AREMUKBSSA-N	413.565	4.524	10	40	HJCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1	222899617	ZQGGSRYQCZATOW-FGZHOGPDSA-N	406.555	4.572	10	40	HJCB	
CC[C@@H]1CCCCN1Cc1c(O)ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc12	639114	RTWFMEFZEAPDJB-MRXNPFEDSA-N	403.482	4.806	10	40	HJCB	biogenic
Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)c(C)n1-c1ccc(F)cc1	1899776	SJTGIHGCRKYWMP-LDADJPATSA-N	421.403	4.879	10	40	HJCB	
Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S	5372359	OEKVCIPTQQMMEU-NVNXTCNLSA-N	407.875	4.892	10	40	HJCB	
O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	8749019	PUNYPWQPOBOBQS-ZSOIEALJSA-N	421.843	4.562	10	40	HJCB	
C[C@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	225838649	ZNLJNLWYBNNZMS-AWEZNQCLSA-N	409.477	4.590	10	40	HJCB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)NC(SC(C)C)=N1	408992857	USVZNRRDRCBQNB-OAQYLSRUSA-N	408.571	4.807	10	40	HJCB	
C[C@@H]1CN(C2=NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)S2)C[C@@H](C)O1	1185588	RRYSTCATLXOMHY-QILGALRJSA-N	402.903	4.680	10	40	HJCB	
CCCn1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=S)N=C2O)c2ccccc21	5032588	VKELPFUOOIDKCV-CPNJWEJPSA-N	403.507	4.719	10	40	HJCB	
COc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1[N+](=O)[O-]	5173582	FZFHDGUOCISJBQ-NTUHNPAUSA-N	406.225	4.716	10	40	HJCB	
O=C1/C(=C\c2cccc(F)c2)SC(=S)N1CNc1ccc(Br)cc1	408720951	BWHHXQSNPIGCGK-OQLLNIDSSA-N	423.332	4.859	10	40	HJCB	
COc1ccc(N2CCN(c3ccc(OC)cc3)C2c2ccc(N(C)C)cc2)cc1	1717330	NRXGQCWVMKUWFN-UHFFFAOYSA-N	403.526	4.795	10	40	HJCB	
CC1(C)C[C@H]2C[C@](C)(CN2Cc2c(O)ccc3cc(-c4ccccn4)c(=O)oc23)C1	4188485	XAUXRNPLUMFIHE-GKVSMKOHSA-N	404.510	4.961	10	40	HJCB	
CC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1	4644289	GTOOKQJFDJAQFR-BKUYFWCQSA-N	415.405	4.864	10	40	HJCB	
CCc1cc(C)cc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c1	13943704	NWNVDAQFRJEWEA-ZHZULCJRSA-N	413.564	4.846	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OCC)c(OC)c1	14406585	DJTFMXWXTGHHBN-ZHZULCJRSA-N	421.493	4.670	10	40	HJCB	
Cc1ccc(O)c(NC2=NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)c1	35043026	FERUTKFERRBERV-ODLFYWEKSA-N	421.434	4.951	10	40	HJCB	
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(-n3c(C)ccc3C)nc2)cc1	72216801	AKIGENMDFOHAPV-QFIPXVFZSA-N	409.555	4.713	10	40	HJCB	
CCCCOC(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1	95471529	MDDDCRFFWYDHQM-JCMHNJIXSA-N	405.498	4.979	10	40	HJCB	
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1ccc(C)cc1	100525272	QWHWPYOLYPFAKL-CCWVLBSLSA-N	420.454	4.902	10	40	HJCB	
COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c2cccnc12	225697337	PBEXFWDGBLQJJH-INIZCTEOSA-N	406.555	4.891	10	40	HJCB	
COc1ccccc1C1=N/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1cccc(C)c1	408840452	BXIXZZUNKGOBEO-HMMYKYKNSA-N	413.433	4.746	10	40	HJCB	
CCn1c2ccccc2c2cc(/C=C3\C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)ccc21	408899779	QGYSDZRENDECJD-RCCKNPSSSA-N	423.472	4.789	10	40	HJCB	
CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCN(c2ccc(Cl)cc2)CC1	2273777	KWHBADABMCUFTJ-OCOZRVBESA-N	411.893	4.819	10	40	HJCB	
COc1ccc(CCN2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)cc1	5372351	JERAHZUAOCUILN-BOPFTXTBSA-N	407.919	4.932	10	40	HJCB	
CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1	5516060	PMNWPMNEHRNDDB-OXKIMEONSA-N	411.918	4.695	10	40	HJCB	
Oc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)cc1	10215417	ZXVUDMVDHUMYDO-PZJWPPBQSA-N	422.282	4.792	10	40	HJCB	
C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H](C)Oc3cccc4c3CCCC4)cc2)C1	223865194	VBAMVBHJHFYKHS-WOJBJXKFSA-N	406.570	4.885	10	40	HJCB	
S=C(NCCCN1CCc2ccccc21)Nc1ccc(Br)c(Cl)c1	225560130	RGQALDLAZFPPQW-UHFFFAOYSA-N	424.795	4.842	10	40	HJCB	
O=Cc1ccc(/C=C2\SC(=S)N(c3ccccc3Br)C2=O)cc1	5375100	DTCUCOHEJVJSJY-DHDCSXOGSA-N	404.310	4.667	10	40	HJCB	
CN1C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)SC1=S	15009544	CGZAWTOBNJFLGW-MHWRWJLKSA-N	420.353	4.859	10	40	HJCB	
Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1cccc2ccccc12	33766741	DWISVLNGZOPCCH-KQWNVCNZSA-N	407.473	4.709	10	40	HJCB	
COc1ccc2nc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)ccc2c1	54360799	YQLCRKHGDYJKMI-ZHZULCJRSA-N	406.532	4.687	10	40	HJCB	
CCn1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c2ccccc21	409105091	GGDOJRFIGLRFHM-WOJGMQOQSA-N	408.504	4.765	10	40	HJCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3ccccc3)o2)C1=O	409244113	XXEPHRDCPXZCKI-FOWTUZBSSA-N	406.825	4.575	10	40	HJCB	
C/C(NCCc1cccs1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	17083179	JAIWXAMSLISGAC-PGMHBOJBSA-N	405.498	4.744	10	40	HJCB	
COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(C(C)C)C3=O)c2C)c(C)c1	409021753	XFGROPUZQZKFHT-YBFXNURJSA-N	412.511	4.634	10	40	HJCB	
CC[C@H]1CCCCN1Cc1c(O)ccc2cc(-c3nc4ccccc4[nH]3)c(=O)oc12	639108	RTWFMEFZEAPDJB-INIZCTEOSA-N	403.482	4.806	10	40	HJCB	biogenic
COc1ccc(OC)c(-c2cc3ccc(O)c(CN4CCCC[C@@H]4C)c3oc2=O)c1	4088857	IGQBPBAPWVLAJU-HNNXBMFYSA-N	409.482	4.557	10	40	HJCB	biogenic
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NC2CCCCC2)cc1	17087695	SFLDJQGPWWBUMH-JWGURIENSA-N	407.489	4.782	10	40	HJCB	
COc1ccc2c(c1)c(/C=C1/SC(=S)N(c3cccc(O)c3)C1=O)c(C)n2C	49942568	LZOZRFBPUNXHSQ-YBFXNURJSA-N	410.520	4.607	10	40	HJCB	
CC(C)Cn1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c2ccccc21	409134774	PUNFJFHJJCITKZ-WSLMLHKMSA-N	400.569	4.678	10	40	HJCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(-c3ccccc3)[nH]c3ccccc23)C1=O	9331439	FMAZQGAUXTVVGQ-HMMYKYKNSA-N	421.456	4.810	10	40	HJCB	
Cc1ccc([C@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)c(F)c2)nc1	19215475	ZFIOPBAAZDTETN-QFIPXVFZSA-N	411.546	4.501	10	40	HJCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)c1	222927863	ZKLWKHJYSKESQZ-PKTZIBPZSA-N	419.598	4.821	10	40	HJCB	
Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)n1-c1ccccc1	223366397	CYMUSDHMIHWTPU-PKTZIBPZSA-N	414.534	4.946	10	40	HJCB	
CN(C)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccc(O)cc3)C2=O)cc1	408752357	AECIQWQZZMOKQH-PXLXIMEGSA-N	417.896	4.946	10	40	HJCB	
CN(C1=NC(=O)/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)S1)c1ccc(O)cc1	1469704	TVXQEKOSNIUKGL-VHDJGTGISA-N	415.858	4.530	10	40	HJCB	
CCCCOc1ccc(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OCC	2811869	CGMRIHATVJYTLI-HUCUOGIVSA-N	421.584	4.644	10	40	HJCB	
CCCCN(CCCC)C(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1	5127460	WVJRTKKBXJQLLN-GFMRDNFCSA-N	421.585	4.952	10	40	HJCB	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)c(C)c2)c1O	5342620	VLFWPYDHEIBJNM-QRVIBDJDSA-N	414.509	4.926	10	40	HJCB	
CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)S1	13943548	LEKOWBSQTHPGKP-IUXPMGMMSA-N	421.305	4.679	10	40	HJCB	
COc1ccc(N2CCC(N(CC(=O)O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1	257208888	BNYFEGTZURQZBD-UHFFFAOYSA-N	423.340	4.558	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1	5170469	MTWUJLDWEYIFIU-XNTDXEJSSA-N	406.326	4.864	10	40	HJCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1	222620832	IQXRNQKYNDXZHK-WQTXXOFMSA-N	403.555	4.782	10	40	HJCB	
COc1cc(Br)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1O	2067849	IOSMRTMLKXSUQQ-RIYZIHGNSA-N	422.325	4.569	10	40	HJCB	
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2ccccn2)C1=O)=C\c1ccccc1	8820576	MLAOIYQHTGCNBL-BEQKSFQUSA-N	423.563	4.648	10	40	HJCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(Cc2ccccc2)C1=O	13881390	MBQJNGHRPMJDPP-BKUYFWCQSA-N	424.522	4.541	10	40	HJCB	
COc1cccc(N/C(C)=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c1OC	17089566	UWMUZSTXICFJJS-XLNRJJMWSA-N	413.477	4.841	10	40	HJCB	
Cc1nccn1Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1	44854100	YBQRZZCVLVKPIX-HXUWFJFHSA-N	416.569	4.967	10	40	HJCB	
CN(c1ccccc1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)S(C)(=O)=O	102830342	SOUDDGLWTDUWAO-WCWDXBQESA-N	408.483	4.750	10	40	HJCB	
COc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)cc1	408752518	BFAGEYUYJICYAG-FYJGNVAPSA-N	412.445	4.567	10	40	HJCB	
COc1ccc(C2=N/C(=C/c3cccc(OC)c3)C(=O)N2c2ccc(F)cc2)cc1	408763677	JMWDHCHNIUJORG-PXLXIMEGSA-N	402.425	4.677	10	40	HJCB	
O=C(O)CCc1ccc(-c2cccs2)n1CC(=O)Nc1ccccc1C(F)(F)F	8612592	DSBARNQWTUSHCE-UHFFFAOYSA-N	422.428	4.891	10	40	HJCB	
CN(C)c1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1Br	59418146	ZYTCOLWJHLVQMB-LFIBNONCSA-N	403.301	4.756	10	40	HJCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)N=C2O)ccc1O	38168342	DISXPUINSCGKJX-GHXNOFRVSA-N	421.236	4.604	10	40	HJCB	
CC(C)N1c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2[C@H](C)CC1(C)C	260572365	UWERWTYVWOXPIS-NXUSMQHESA-N	417.578	4.958	10	40	HJCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(Cl)cc3)N(c3ccccc3)C2=O)cc1	408764036	VQZNGODBEDMJRT-RCCKNPSSSA-N	416.864	4.961	10	40	HJCB	
COc1cccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(F)cc3)C2=O)c1	408846082	XJZUSUFBBQESIQ-RCCKNPSSSA-N	402.425	4.677	10	40	HJCB	
CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1	409330105	ISHXROGVVIMUIT-YBFXNURJSA-N	412.536	4.667	10	40	HJCB	
Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(O)cc1	3659158	IGPCTLJXXNKKCM-RGVLZGJSSA-N	407.857	4.550	10	40	HJCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1c(Cl)cccc1Cl	408980774	XITOACVKRWBHDN-LGMDPLHJSA-N	416.304	4.909	10	40	HJCB	
Cc1ccc(C)c(OCCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)c1	33390914	MJHSKEFMPAUPMU-ZHZULCJRSA-N	413.564	4.982	10	40	HJCB	
COc1ccc(N2CCN([C@H](C)c3cccc(NC(=O)c4ccccc4)c3)CC2)cc1	58168057	HOSSECIRQHNFRG-HXUWFJFHSA-N	415.537	4.831	10	40	HJCB	
COc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c2cccnc12	225419570	XWKLUBZBVFMKJX-UHFFFAOYSA-N	406.555	4.720	10	40	HJCB	
O=C1N=C(O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1c1ccc(F)cc1	8767818	GKCMJADOHONDBR-BOPFTXTBSA-N	421.340	4.501	10	40	HJCB	
Cc1cccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)c2C)c1C	32117126	CUJBXVZNVDKEMH-XKZIYDEJSA-N	417.484	4.943	10	40	HJCB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccccc1OCC	112287633	CYNSETRMGTXDMP-QNGOZBTKSA-N	408.458	4.882	10	40	HJCB	
Cc1ccsc1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O	113835588	GRFZYVPFFLJQDN-UHFFFAOYSA-N	404.516	4.805	10	40	HJCB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1	218757559	GGZAJRXUMAKNNO-CYFREDJKSA-N	410.558	4.966	10	40	HJCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C	222875934	BXUBKYZMUTVCDI-VXKWHMMOSA-N	406.555	4.577	10	40	HJCB	
CCCn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21	13512520	NSPQVZRXLPDSOU-LDADJPATSA-N	423.925	4.536	10	40	HJCB	
Cc1cc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)ccc1N1CCCC1=O	225696561	QFAGCYLWIPIHPI-SFHVURJKSA-N	422.598	4.770	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3cccc(C)c3)C2=O)c(OC)c1	408761459	DSRSWXXCKOGOCH-HYARGMPZSA-N	416.452	4.986	10	40	HJCB	
COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(c2ccccc2)C1=O	15013410	MWMUUVZGNLCRIP-DEDYPNTBSA-N	410.495	4.545	10	40	HJCB	
CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)S1	32110008	LEKOWBSQTHPGKP-CAOOACKPSA-N	421.305	4.679	10	40	HJCB	
Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2O)c(C)n1-c1ccc(F)cc1	33330770	UJPFGEXOYHJRMP-DEDYPNTBSA-N	409.461	4.868	10	40	HJCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)c2C)nc1	222928450	KJXPEPVOKAHCTD-XZOQPEGZSA-N	419.598	4.821	10	40	HJCB	
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1Cl	5370771	ISMDFZVTZHPTCI-NPDFUIFFSA-N	414.939	4.736	10	40	HJCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NC1CCCCC1	6147551	UFLULZQDWYJAKW-MNDPQUGUSA-N	416.612	4.897	10	40	HJCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3cccc(Oc4ccccc4)c3)C2=O)cc1	6843782	VTQDACOIJMSJAU-QNGOZBTKSA-N	414.417	4.994	10	40	HJCB	
COc1ccc(-c2cnc(SCC(=O)Nc3cccc4ccccc34)n2C)cc1	7423655	XMOUAWWNKLZHIC-UHFFFAOYSA-N	403.507	4.980	10	40	HJCB	
CC1CCN(Cc2c(O)ccc3c(=O)c(-c4nc5ccccc5s4)c(N)oc23)CC1	8691789	DFAHROFUJXBBLE-UHFFFAOYSA-N	421.522	4.589	10	40	HJCB	biogenic
COc1ccc(CN2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1	9295611	LXCKDBPMJQFQGI-CXUHLZMHSA-N	420.899	4.658	10	40	HJCB	
COc1cc(Br)c(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1OC	16049960	VPHVTRLEWPTTMT-SXGWCWSVSA-N	419.300	4.549	10	40	HJCB	
COc1ccc(Oc2coc3c(CN(C)Cc4ccccc4)c(O)ccc3c2=O)cc1	20573164	QHJORPMMHZGCJW-UHFFFAOYSA-N	417.461	4.932	10	40	HJCB	biogenic
Cc1nccn1Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1	44854844	OIQCVKYVWQRDOP-IBGZPJMESA-N	402.542	4.721	10	40	HJCB	
O=C1N=C(O)/C(=C\c2cc(Cl)ccc2OCc2cccc3ccccc23)C(=O)N1	58823258	WCDXQPOTFOVOHK-UHFFFAOYSA-N	406.825	4.662	10	40	HJCB	
CCOc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1C(C)C	409230931	ADRMNTNHROOVTQ-CPNJWEJPSA-N	422.550	4.657	10	40	HJCB	
COc1ccc(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)cc1OC	2160264	QLOBMSPEDOSGLS-UHFFFAOYSA-N	403.434	4.628	10	40	HJCB	biogenic
CN(C)c1ccc(/C=C2\CCCC3=C2NC(=S)N[C@H]3c2ccc(N(C)C)cc2)cc1	2260291	SWXXUNASLTXPIX-BBIZSYTBSA-N	418.610	4.859	10	40	HJCB	
CN(C)c1ccc(CN(C(=O)c2ccc(Br)cc2)c2ccccn2)cc1	28288063	ZIBGXUSCNHIDCQ-UHFFFAOYSA-N	410.315	4.757	10	40	HJCB	
O=C1CCCN1Cc1ccc(CN[C@H](CCc2ccccc2)c2ccccc2O)cc1	97164432	LKOYXTHEUNQLEQ-RUZDIDTESA-N	414.549	4.978	10	40	HJCB	
CCN(CCNC(=S)Nc1ccc(Br)c(C)c1)c1ccc(C)cc1	225793172	AHHQOATYIIHQER-UHFFFAOYSA-N	406.393	4.879	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)C3(c4ccccc4)CCOCC3)cc2)C1	260760880	BUJADCVLZRGEIV-LEWJYISDSA-N	406.570	4.849	10	40	HJCB	
COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(=O)O)cc2[C@@H]2C=CC[C@@H]21	2578383	NZGRRGAZVGOZOV-BIENJYKASA-N	400.272	4.982	10	40	HJCB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C	14009515	XBQGISJFFSNLCA-BKUYFWCQSA-N	406.526	4.731	10	40	HJCB	
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C1\SC(N2CCCCC2)=NC1=O	21191563	LCUIFVNJLUBEEI-UNOMPAQXSA-N	414.962	4.658	10	40	HJCB	
CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC	33323549	AYPVJFNAJPFUJN-YBEGLDIGSA-N	415.287	4.663	10	40	HJCB	
COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1C	225869830	YBFJBRRAFYQZRU-IBGZPJMESA-N	416.587	4.588	10	40	HJCB	
CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(CCC)C1=O	409345899	MBHNMZHLSXDCKB-UVTDQMKNSA-N	400.363	4.849	10	40	HJCB	
CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1ccccc1OCc1ccccc1	13914648	PFSVHTWJWYFYMK-PXLXIMEGSA-N	412.445	4.770	10	40	HJCB	
Cc1nc(CCNC(=O)c2cc(C)n(-c3cccc(Br)c3)c2C)cs1	48325820	HLSYPDSTQBNQDF-UHFFFAOYSA-N	418.360	4.594	10	40	HJCB	
Cc1ccc2ccc([C@@H](Nc3ccccc3C(=O)O)c3ccc(O)cc3)c(O)c2n1	408731556	NQLKBTSSTKINDM-NRFANRHFSA-N	400.434	4.854	10	40	HJCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1	409157735	WGNFDKIBHAFFRA-XSFVSMFZSA-N	423.538	4.516	10	40	HJCB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21	409174108	LHVRJYRWVMSTPF-FHSNZYRGSA-N	401.806	4.992	10	40	HJCB	
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(/C)NCC(C)C)cc1	9059556	BPJFTJWCKWTCGF-HKWRFOASSA-N	420.538	4.575	10	40	HJCB	
CCCCN1CCc2cc(/C=C3/C(=O)N(C4CCCCC4)C(=S)N=C3O)ccc21	13757871	JKCJEXACOVJZNX-XDJHFCHBSA-N	411.571	4.649	10	40	HJCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1	59435439	WJKRQJCXMCOQHO-ATVHPVEESA-N	416.304	4.909	10	40	HJCB	
CCn1cc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21	409329330	DXBVLQAQTHDSNW-VCHYOVAHSA-N	409.492	4.975	10	40	HJCB	
Cc1ccc(S(=O)(=O)n2cc(/C=C3\C(=O)Nc4ccccc43)c3ccccc32)cc1	1032773	OTYODMMXIHAPQX-STZFKDTASA-N	414.486	4.679	10	40	HJCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(CNc3ccccc3OC)C2=O)cc1	3044067	JXCDWDUKJBIHEU-XSFVSMFZSA-N	411.527	4.647	10	40	HJCB	
CC(=O)N(CN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)c1ccccc1	5378068	IXQXQOSEGBCBCB-GZTJUZNOSA-N	402.928	4.552	10	40	HJCB	
COc1ccc(CCN2C(=O)/C(=C/c3ccc4ccccc4n3)SC2=S)cc1	51330875	RQBMJFNNSIYQPP-ZHZULCJRSA-N	406.532	4.687	10	40	HJCB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc2ccccc12	113834119	QSVKXXYYMZLFJJ-JJIBRWJFSA-N	420.468	4.880	10	40	HJCB	
C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(N2CCC[C@@H](C)C2)cc1	219214879	VHZXJRPVJOVVBN-MOPGFXCFSA-N	405.542	4.541	10	40	HJCB	
COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OC	260466411	SCULMEFIUVLDFN-YMJMCWPSSA-N	408.542	4.831	10	40	HJCB	
COc1cc(N2N=C(C)/C(=C/Nc3ccc(Br)cc3)C2=O)ccc1Cl	408534798	RFTMADNHCKXQCY-GDNBJRDFSA-N	420.694	4.830	10	40	HJCB	
CN(C)c1ccc(-n2cccc2/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1	408902420	NKLKPCSFUVTRSV-HMMYKYKNSA-N	405.548	4.949	10	40	HJCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2c(OC(C)C)ccc3ccccc23)C1=O	14133134	POPZXDXNNMFVRE-XSFVSMFZSA-N	414.461	4.602	10	40	HJCB	
C[C@H]1CCCN(Cc2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)C1	20488720	ODCADJOKAWGZEE-NRFANRHFSA-N	405.586	4.839	10	40	HJCB	
CSc1nc2nc3c(c(-c4ccc(Cl)cc4)c2c(=O)[nH]1)C(=O)c1ccccc1-3	40382576	VNFMYMJCYLZYIV-UHFFFAOYSA-N	405.866	4.572	10	40	HJCB	
CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2Cl)S1	409025435	RDYQEVUSYGDHRD-MFOYZWKCSA-N	421.305	4.679	10	40	HJCB	
Cc1ccnc(-n2c(C)cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c2C)c1	39369664	VAZFMIUCQVVHEI-YBFXNURJSA-N	406.873	4.548	10	40	HJCB	
Cc1cc(OCC(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)ccc1Cl	28288090	GBACZYKBJGFOPW-UHFFFAOYSA-N	409.917	4.722	10	40	HJCB	
COc1ccc(/C=C2\SC(=S)N(c3ccccc3OC(F)F)C2=O)cc1OC	98086485	ZKFQFEKCSHDXHH-YBEGLDIGSA-N	423.462	4.711	10	40	HJCB	
COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O	9188518	UJTHOEPSNZRUEC-MFOYZWKCSA-N	421.927	4.772	10	40	HJCB	
C[C@@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC(c2ccccc2Cl)=NO1	141567927	SSIWDQXBIBXZCK-QHCPKHFHSA-N	411.933	4.530	10	40	HJCB	
CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(OC)c1	408969566	QDVNHHYVYBLSBW-AQTBWJFISA-N	417.431	4.890	10	40	HJCB	
O=C1N=C(N2CC[C@H](c3ccccc3)C2)S/C1=C\c1ccc(Br)cc1	651744	GVAAQBMVBDQQQO-JIHKLPAASA-N	413.340	4.909	10	40	HJCB	
CC(C)C1=NN2C(=N)/C(=C\c3ccccc3OCc3ccccc3)C(=O)N=C2S1	4311380	MEPNKJGQZZURQJ-OLOAGALHSA-N	404.495	4.541	10	40	HJCB	
O=C(O)CCCCCN1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S	8825354	GPHSHLXMWBKRJT-SFQUDFHCSA-N	419.499	4.932	10	40	HJCB	
Cc1cccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)c1	13944014	CXGFRGHWOYLFHE-PDGQHHTCSA-N	419.955	4.937	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)N=C2c2ccc(F)cc2)cc1	408762774	QOZAYZGZANWCHL-PXLXIMEGSA-N	402.425	4.677	10	40	HJCB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	408891711	BUJJLHCYYDLCPW-HAHDFKILSA-N	419.521	4.984	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1c(O)ccc2ccccc12	408893806	NFZBRGRIWWPCAE-AQTBWJFISA-N	403.409	4.562	10	40	HJCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C	222747703	DPFZOHIWACKVTF-GMAHTHKFSA-N	404.583	4.962	10	40	HJCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C	222883134	BKYNWIHJQYAPBJ-RTWAWAEBSA-N	405.571	4.575	10	40	HJCB	
CC[C@H]1CCCCN1C(=O)CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S	1180098	VSULSFYVYPFYHT-SUCHYCSPSA-N	423.003	4.722	10	40	HJCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1ccc(-c2ccccc2F)o1	16134949	ZMXRGOOLCLUIDO-UHFFFAOYSA-N	422.500	4.514	10	40	HJCB	
COc1cc(/C=C2/SC(Nc3ccc(C)cc3C)=NC2=O)ccc1OC(F)F	33660266	MGWUZROXNLPOHH-LICLKQGHSA-N	404.438	4.996	10	40	HJCB	
COc1ccc(C(C)=O)cc1C[C@H](C(=O)c1cc(C)n(-c2ccccc2)c1C)N(C)C	58160587	DYQCELXZGQDHND-XMMPIXPASA-N	418.537	4.661	10	40	HJCB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(F)cc12	103918546	IWAKPEVLUNPSBZ-KQWNVCNZSA-N	404.489	4.916	10	40	HJCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C	222966160	XLAXQUHDFJLMBR-XZOQPEGZSA-N	420.582	4.967	10	40	HJCB	
COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1C	225584869	WGDKZHRLAFKSKQ-VQIMIIECSA-N	416.587	4.588	10	40	HJCB	
COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C	409009876	CETPHLSZIHEQJC-PDGQHHTCSA-N	412.917	4.829	10	40	HJCB	
Cc1cccc2cc(CN(Cc3ccccc3)C(=S)NCc3ccco3)c(=O)[nH]c12	1224257	ZXKYTVKTTJCXQY-UHFFFAOYSA-N	417.534	4.506	10	40	HJCB	
Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	106745339	ZQWBLTLGAJOHOP-MOSHPQCFSA-N	423.494	4.740	10	40	HJCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C	222747508	DPFZOHIWACKVTF-FYYLOGMGSA-N	404.583	4.962	10	40	HJCB	
Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)n1-c1ccccc1	223366438	CYMUSDHMIHWTPU-XZOQPEGZSA-N	414.534	4.946	10	40	HJCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccccc2F)c1	408757862	DLQIZXKAVUYWGK-KGENOOAVSA-N	400.409	4.667	10	40	HJCB	
O=C1S/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccccc1F	409108710	VMYQOJSYDJBHOA-UNOMPAQXSA-N	400.450	4.802	10	40	HJCB	
O=C1c2ccccc2N[C@H](c2cc(Cl)cc(Cl)c2O)N1CCc1ccccn1	3954576	XNODUJYLAIIVDZ-FQEVSTJZSA-N	414.292	4.903	10	40	HJCB	in-vitro
COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(=O)O)cc2[C@H]2C=CC[C@H]21	4959439	NZGRRGAZVGOZOV-IQUTYRLHSA-N	400.272	4.982	10	40	HJCB	
C/C(NCc1ccc(F)cc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1	112125777	MJALHZXSDUIABP-JWGURIENSA-N	403.432	4.780	10	40	HJCB	
CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O	409329710	HPWZCEROCSOUFA-BUESGFEBSA-N	413.520	4.998	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(OC)c(OC)c3)SC2=S)cc1	1009709	HXDHHBCBPXSYHO-PDGQHHTCSA-N	401.509	4.508	10	40	HJCB	
CC[C@@H](C)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N(CC)CC)cc3)C2=O)cc1	2215456	OTCLIHGIDCLIND-FIOICXDGSA-N	419.525	4.713	10	40	HJCB	
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1ccccc1C	100525262	FNUJBPPWMQFIPZ-CCWVLBSLSA-N	420.454	4.902	10	40	HJCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C	222966108	XLAXQUHDFJLMBR-PKTZIBPZSA-N	420.582	4.967	10	40	HJCB	
Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1	408707685	LSRYSVOVUGFWDG-QGZVFWFLSA-N	407.901	4.739	10	40	HJCB	
CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S	4747568	MVKCPUZUBYPSCV-NCPSJORJSA-N	407.900	4.664	10	40	HJCB	
CC(/C=C1\SC(=S)N(CC(=O)Nc2cccc(F)c2)C1=O)=C\c1ccccc1	16712722	QZELQONPHJUPKH-RZTVDGLLSA-N	412.511	4.612	10	40	HJCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3cccc(C)c3)C2=O)cc1	408761360	IWLUQBHTPMLBGG-XQNSMLJCSA-N	410.473	4.925	10	40	HJCB	
CC[C@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	4976578	VKYUANZNBXOVFO-DSDLTIFZSA-N	408.614	4.521	10	40	HJCB	
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2-n2c(C)ccc2C)cc1	72216861	XOPKVRCEJFDQHV-QFIPXVFZSA-N	409.555	4.713	10	40	HJCB	
CCN1c2ccc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc2C(C)=CC1(C)C	208509777	QHYRXPAPTKTBGF-BKUYFWCQSA-N	419.500	4.940	10	40	HJCB	
CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O	408805864	LXFFORJRKKBYOM-HMMYKYKNSA-N	414.461	4.603	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccccc1Cl	409018940	XKIVOVSTFLIVFM-GDNBJRDFSA-N	418.276	4.879	10	40	HJCB	
COc1cccc(-n2c(C)cc(/C=C3\NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1	409175399	YQBUHHMNPBASOR-MTJSOVHGSA-N	421.884	4.853	10	40	HJCB	
CCCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)C(C(=O)OC)=C1C	409207182	SUHVXKJADTXESU-JWGURIENSA-N	405.494	4.738	10	40	HJCB	
Cc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1	2597599	TTZPPSRGIWTSEF-VBKFSLOCSA-N	402.566	4.677	10	40	HJCB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c2C)cc1	409081511	PSLODOSZNOYOPY-CNJGYECJSA-N	412.580	4.783	10	40	HJCB	
Cc1ccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C2=O)cc1	2143662	MLQOWWUULYTCGI-FYJGNVAPSA-N	403.457	4.635	10	40	HJCB	
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C/Nc1ccc(F)cc1F	17193968	OYBBVBLATZFPNO-NTEUORMPSA-N	406.230	4.754	10	40	HJCB	
Cc1cc(/C=C2\SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	27572677	OKSNHMFJDCEMAF-WQRHYEAKSA-N	412.511	4.513	10	40	HJCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1	34713540	IECROHAGXMYWET-UNOMPAQXSA-N	422.843	4.520	10	40	HJCB	
COc1ccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2cccc(C)c2)cc1	408752275	CUIYJEYRINZJEC-PXLXIMEGSA-N	412.445	4.536	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(C)cc1	408764983	AVDFEMULXCLRKA-PDGQHHTCSA-N	412.283	4.635	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc(C(=O)O)cc2)c1	409064818	GOGZAFBAMHRXHG-HAHDFKILSA-N	412.445	4.770	10	40	HJCB	
COc1cc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccn2)ccc1O	10215515	XNJWUZYLGPHULD-XMSQKQJNSA-N	407.857	4.692	10	40	HJCB	
Cc1cc(Br)cc(/N=N/c2ccc(S(=O)(=O)N3CCCC3)cc2)c1O	12112409	MUODGDHLQHYTIO-FMQUCBEESA-N	424.320	4.663	10	40	HJCB	
CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4C)c3C)C(=O)N=C2S1	35129051	SANAFURVIHPZML-PRZRADHTSA-N	411.918	4.695	10	40	HJCB	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1ccc([N+](=O)[O-])cc1	100510943	AFUUWZQVNVITAL-CCWVLBSLSA-N	420.454	4.902	10	40	HJCB	
O=C1NC(=S)S/C1=C\c1cc(Br)ccc1OCc1cccc(F)c1	108077256	YUFSXJYJOOCGKM-NVNXTCNLSA-N	424.316	4.656	10	40	HJCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=O)c1	408739412	BPZABKUSHDFWKU-LDADJPATSA-N	406.825	4.575	10	40	HJCB	
CCOc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1O	409331714	PBXBYZZPLMVXBX-MHWRWJLKSA-N	405.928	4.846	10	40	HJCB	
COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1	1257791	GNRVSZNTVSNTHE-LZYBPNLTSA-N	409.891	4.902	10	40	HJCB	
CCOc1cc([C@@H](Nc2ccccn2)c2ccc3cccnc3c2O)ccc1OC	2977138	PLRFBBRMHMMKRH-JOCHJYFZSA-N	401.466	4.944	10	40	HJCB	
Cc1ccccc1N1C(=O)N=C(O)/C(=C/c2ccc(N3CCCCCC3)cc2)C1=O	9245604	BAFZPVVGTWOELF-SILNSSARSA-N	403.482	4.882	10	40	HJCB	
CN(C)c1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1[N+](=O)[O-]	19325775	KPYTYIQYRVKWSO-UHFFFAOYSA-N	416.525	4.677	10	40	HJCB	
CCOC(=O)c1ccc(NC(=S)NCCCN(CC)c2ccc(C)cc2)c(C)c1	225734460	BGNJUKTZDMQMKM-UHFFFAOYSA-N	413.587	4.683	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)NC2=S)cc1	408742092	PEUMHUGVMPYIOA-LDADJPATSA-N	422.893	4.740	10	40	HJCB	
COc1cccc(-n2c(CCC(=O)O)ccc2-c2ccc(Br)cc2)c1	408945924	LWFJOVHLCQIMDI-UHFFFAOYSA-N	400.272	4.933	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1	408996009	CMVLRHRTKXYZBR-DHDCSXOGSA-N	404.249	4.576	10	40	HJCB	
CCCN1C(=O)/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)SC1=S	409334851	WQMXPJTVNDTGRE-PDGQHHTCSA-N	414.508	4.785	10	40	HJCB	
CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2F)SC1=S	1182736	ANERPDLNAHGTSS-YVLHZVERSA-N	418.471	4.534	10	40	HJCB	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(Br)cc2)cc1	2705484	LWVZGMRGLJJZEQ-UHFFFAOYSA-N	413.315	4.951	10	40	HJCB	
COc1ccc(N2CCN(Cc3cc(=O)oc4cc(C)c(C(C)C)cc34)CC2)cc1	57303750	CGHZOOYGPKULLK-UHFFFAOYSA-N	406.526	4.556	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C	14010554	NYKMOLHDXZPWRD-KQWNVCNZSA-N	412.489	4.971	10	40	HJCB	
CC1CCN([C@@H](C(=O)NCc2ccc(N3CCCCC3)cc2)c2ccccc2)CC1	141592946	FAFYXAARWIMOSM-RUZDIDTESA-N	405.586	4.766	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1	408985395	KNPNEQHIIMJSJJ-SXGWCWSVSA-N	418.276	4.879	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C(=O)N=C2S1	27533786	IUQFJNFKQQRKAU-FZAWDKCWSA-N	422.485	4.824	10	40	HJCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C	222954295	RNACXGDXKSUPEG-YADHBBJMSA-N	405.571	4.657	10	40	HJCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3Cc3cc(C)cc(C)c3)C2=O)cc1	408868362	PSWYCQJSGKLSCU-LFVJCYFKSA-N	424.500	4.869	10	40	HJCB	
COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Br)c(Cl)c1O	408903901	BBDFOLPKDHKDQS-MDWZMJQESA-N	421.678	4.623	10	40	HJCB	
CC(C)C1=NN2C(=N)/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C(=O)N=C2S1	8453002	PEHAZRMYBFWDET-QAPXJYDZSA-N	422.485	4.680	10	40	HJCB	
CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)N=C2S1	41083549	BNSGDOJFAZAOKM-OXMFYWCOSA-N	423.567	4.651	10	40	HJCB	
CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C	222788140	ITFDTHLFYOBFNH-GOTSBHOMSA-N	419.598	4.548	10	40	HJCB	
CCCOc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	33436792	UHPDWQKIXLQASP-ATVHPVEESA-N	400.481	4.789	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(C)cc3)C2=O)cc1OC	408757836	CYKGBTWZBMSWIF-KGENOOAVSA-N	416.452	4.986	10	40	HJCB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccccc1C(F)(F)F	408978888	OEXKGNKOMNRLMR-ATVHPVEESA-N	401.384	4.578	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4F)cc3)C(=O)N=C2S1	9659823	CSFYSHYJEKJOIJ-CYPXAJCBSA-N	422.485	4.824	10	40	HJCB	
O=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)SC(=S)N1C[C@H]1CCCO1	12375683	CELQNOCWABHQCF-OMJMQIJPSA-N	405.928	4.980	10	40	HJCB	
COc1ccc(Br)cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O	33399951	ZKQGMVCONVFGQT-YBEGLDIGSA-N	420.353	4.859	10	40	HJCB	
O=C(O)c1cc(Br)cc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21	58928816	OMWGWBAPRATJCX-KEYYUXOJSA-N	415.243	4.882	10	40	HJCB	
O=C1N=C(O)/C(=C\c2ccccc2OCc2ccccc2)C(=O)N1c1ccc(F)cc1	59135626	DZLLQIYGQXODBL-XSFVSMFZSA-N	416.408	4.911	10	40	HJCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)cc1C	5489859	SGDHESBRLFKNJT-VQQXQELJSA-N	419.554	4.986	10	40	HJCB	
CCc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)cc1	13940252	MKUAJIHCYQZOSR-PLLOTBJKSA-N	419.554	4.932	10	40	HJCB	
C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)C1	20488718	ODCADJOKAWGZEE-OAQYLSRUSA-N	405.586	4.839	10	40	HJCB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NC1CC(C)(C)NC(C)(C)C1	103918170	DBWJUSCFGDIZJL-HKWRFOASSA-N	400.542	4.501	10	40	HJCB	
COc1ccc(Sc2ccc(/C=C3\C(=O)N(c4ccccc4)C(=O)N=C3O)o2)cc1	20324508	FHTHRYATBGCJPO-AQTBWJFISA-N	420.446	4.946	10	40	HJCB	
CCCn1cc(/C=C2\C(=O)N(Cc3ccc(OC)cc3)C(=O)N=C2O)c2ccccc21	33619980	ICMRSNCIBHSTHS-MOSHPQCFSA-N	417.465	4.562	10	40	HJCB	
CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C(=O)N=C2S1	5477921	OKARIAYNLRQBQL-CWUSKICSSA-N	405.527	4.857	10	40	HJCB	
O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	16385911	JNDUJFBHAZATGW-UHFFFAOYSA-N	417.801	4.652	10	40	HJCB	
COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C	223645481	SRSLOWNXTGSDIN-APWZRJJASA-N	416.587	4.588	10	40	HJCB	
CCSc1c(C(=O)NCc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O	4452335	OAWWABSPSYQZLG-UHFFFAOYSA-N	401.487	4.504	10	40	HJCB	
CC[C@H](C)c1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N(CC)CC)cc3)C2=O)cc1	5024781	OTCLIHGIDCLIND-DBZAVIBRSA-N	419.525	4.713	10	40	HJCB	
Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)oc2ccc(F)cc12	15831780	RVZZOZOWIASEIV-HXUWFJFHSA-N	410.489	4.768	10	40	HJCB	
CCOc1ccccc1NC(=O)CN(Cc1ccccc1O)[C@H](C)c1ccccc1	58171392	NVVRMUQJDMMGNK-LJQANCHMSA-N	404.510	4.993	10	40	HJCB	
O=C1/C(=C/c2ccccc2F)SC(=S)N1C(=O)c1ccccc1Br	16448972	QTRXGWKGIXBZMY-ZROIWOOFSA-N	422.300	4.630	10	40	HJCB	
CCOc1ccc(Cl)cc1/C=C1/C(=N)N2N=C(c3cccc(C)c3)SC2=NC1=O	33447087	PTXCERJADDQMTQ-FWPSJRISSA-N	424.913	4.715	10	40	HJCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)nc1	222621411	CRGHJMMWLMDKPV-WQTXXOFMSA-N	403.555	4.782	10	40	HJCB	
O=C1/C(=C\c2ccco2)N=C(c2ccc(Br)cc2)N1c1ccc(O)cc1	408848644	XNJIQRKVCUPQPO-LDADJPATSA-N	409.239	4.582	10	40	HJCB	
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc12	4209212	AJTSCCKXHDIXOD-CPNJWEJPSA-N	420.852	4.558	10	40	HJCB	
Cc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1ccc(F)cc1	13687990	CBXOHSKAYOMVEB-NDENLUEZSA-N	421.403	4.879	10	40	HJCB	
O=C(Nc1ccc(-c2nccs2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1	48263633	BYGSPLCCJMPKHP-IBGZPJMESA-N	409.511	4.729	10	40	HJCB	
CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O	408802219	XSDZKPQXGOIELP-XSFVSMFZSA-N	414.461	4.522	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1	5177183	GUALCCPJXSOQFJ-AMWUQPRHSA-N	409.490	4.653	10	40	HJCB	
CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S	5485357	AQEYESZBGLCPIU-NCPSJORJSA-N	407.900	4.664	10	40	HJCB	
COc1ccc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)c(OC)c1	13547710	SBNUKZJDKFGFNO-JCMHNJIXSA-N	422.550	4.629	10	40	HJCB	
CC(=O)Oc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1	409182260	KARVPCDLZRTRRM-LZYBPNLTSA-N	407.875	4.810	10	40	HJCB	
CSC1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc(C)c(Cl)c4)o3)C(=N)N12	32957616	LJBLIFBKAZWZNB-ULUISBJDSA-N	416.915	4.848	10	40	HJCB	
CC1=CSC2=NC(=O)/C(=C\c3cccn3-c3ccc(Cl)c(Cl)c3)C(=N)N12	49652923	HGZNBTUDAPLZRX-GKKSZPRESA-N	403.294	4.951	10	40	HJCB	
O=C(O)c1cc(Br)cc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21	58928806	ZFSPKJBAOZBABT-BWACUDIHSA-N	415.243	4.882	10	40	HJCB	
CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1	219565113	ZDCPZWKXUVZTAL-DXIQSLLYSA-N	410.558	4.966	10	40	HJCB	
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)ccc1F	226862969	NXZFEPFGESYFGI-QZQOTICOSA-N	400.391	4.950	10	40	HJCB	
Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2	408736621	XTNMPEGEWBUZGW-TYILLQQXSA-N	417.246	4.846	10	40	HJCB	
COc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(OC)c1	1245348	MUTYQANVQUKZFP-FRKPEAEDSA-N	409.891	4.902	10	40	HJCB	
COc1ccc(CCN2C(=O)/C(=C/c3cccc4cccnc34)SC2=S)cc1	9419332	IZBYSUSPVCXFRJ-RGEXLXHISA-N	406.532	4.687	10	40	HJCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCc3cccs3)C2=O)cc1	112125639	QKGZEVDSWKJYLE-PGMHBOJBSA-N	403.507	4.571	10	40	HJCB	
C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1	223328167	FBUJKPIXJLNKRT-UXHICEINSA-N	406.570	4.885	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(O)cc3)C2=O)cc1	408761575	GWQNXKZCRZZGAX-KGENOOAVSA-N	404.853	4.889	10	40	HJCB	
O=C1/C(=C/c2ccccn2)SC(=S)N1c1ccc(Br)c(Cl)c1	409339016	DFUNOIPSMLZIIY-QPEQYQDCSA-N	411.733	4.903	10	40	HJCB	
CC(C)c1ccc(/C=C2/SC(=S)N(CNc3cccc([N+](=O)[O-])c3)C2=O)cc1	3193387	HDUMQBMAHVZYOL-VCHYOVAHSA-N	413.524	4.989	10	40	HJCB	
C[C@H]1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)N(C)c3ccccc32)c2ccccc21	3646659	MGYGLRGIFUXFOT-LUJYGJGBSA-N	413.521	4.559	10	40	HJCB	
COc1ccccc1C(=O)Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1	36360318	AFNSNQBEELTFEH-UHFFFAOYSA-N	412.493	4.708	10	40	HJCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccccc1Cl	1235920	JKMSWTOVDSWYPY-FOWTUZBSSA-N	402.928	4.570	10	40	HJCB	
CCc1cccc2c(/C=C3/C(=O)Nc4ccccc43)cn(CC(=O)N3CCCCC3)c12	3646630	AZCHAWUDLXMOIC-PXLXIMEGSA-N	413.521	4.709	10	40	HJCB	
CCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2ccc(Cl)c(C(=O)O)c2)N=C1C	4178860	HZGGXBIZLXXCON-DHDCSXOGSA-N	419.264	4.896	10	40	HJCB	
COC(=O)c1ccc(/C=C2/SC(Nc3ccc(Cl)c(Cl)c3)=NC2=O)cc1	8378207	QXNIXWGKCFTWRH-OVCLIPMQSA-N	407.278	4.862	10	40	HJCB	
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1ccccc1C	100525258	FNUJBPPWMQFIPZ-KGNHYALCSA-N	420.454	4.902	10	40	HJCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1	408766450	QVBQBDDXOMBESM-XQNSMLJCSA-N	410.473	4.925	10	40	HJCB	
COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCCc3ccccc3)C2=O)cc1	17088925	ZKEOWSXMWCCRGX-CLCOLTQESA-N	411.505	4.552	10	40	HJCB	
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21	20705800	YLSNSJRRUMZAMK-SOZUMNATSA-N	401.806	4.992	10	40	HJCB	
Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)n1-c1ccccc1	223366497	CYMUSDHMIHWTPU-GOTSBHOMSA-N	414.534	4.946	10	40	HJCB	
CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O	409243949	ZNERMLWOGZFUDS-RZKQZQCBSA-N	422.550	4.819	10	40	HJCB	
O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1C[C@H]1CCCO1	4832785	LWYGJZUFHICPDM-DISPHTKASA-N	405.928	4.980	10	40	HJCB	
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1OC	5371452	CGDABRFQAVTXPC-UNOMPAQXSA-N	413.520	4.702	10	40	HJCB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1	260453317	IWHPEOXPRQJAPT-JXQFQVJHSA-N	410.558	4.966	10	40	HJCB	
Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1ccc3c(c1)OCO3)CO2	2117406	TYMUPPRGVCECDU-UHFFFAOYSA-N	413.429	4.854	10	40	HJCB	biogenic
Cc1cc(C(=O)COC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc2c(c1)OCO2	3512259	HSRBGOFUIHDDJQ-UHFFFAOYSA-N	411.841	4.516	10	40	HJCB	
CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N=C2S1	5490158	QUJZWCHHVADVHM-DJCXZETLSA-N	405.527	4.740	10	40	HJCB	
Cc1cc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)c(C)n1-c1ccc(F)cc1	5694644	OXDZPHQJJQBZAY-QHCPKHFHSA-N	420.484	4.584	10	40	HJCB	
Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1ccccc1	6973021	SAZXHUJHTGTIKN-UHFFFAOYSA-N	402.317	4.580	10	40	HJCB	
O=C(c1cccnc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1O	13147969	MZCFEFNCCOWPOZ-LJQANCHMSA-N	422.282	4.541	10	40	HJCB	
COc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1	35646642	FIDHKBULSKTILM-UNOMPAQXSA-N	421.434	4.946	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1	83318694	VAHPXTYRNRABIE-STZFKDTASA-N	405.494	4.870	10	40	HJCB	
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)cc1	95465450	FYJNMIYKEJDVQF-GOSISDBHSA-N	423.534	4.589	10	40	HJCB	
O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NC1CCCCCCC1	96936014	KZOZOEMGKXBQJT-NBVRZTHBSA-N	420.575	4.646	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccccc2OC)cc1	408843259	RFAWARLEMFCPSE-HMMYKYKNSA-N	404.491	4.990	10	40	HJCB	
CCOc1cc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)ccc1OC	669344	PLRFBBRMHMMKRH-QFIPXVFZSA-N	401.466	4.944	10	40	HJCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)c1	5163641	PPGBPSLRDBPHHV-ODXNEQJUSA-N	405.527	4.678	10	40	HJCB	
CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)c(Cl)c4)c3C)C(=O)N=C2S1	5516022	ASHUAIRAHGXRAM-OXKIMEONSA-N	411.918	4.695	10	40	HJCB	
Cc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)cc1	17299846	FTYUGIVMSAORER-XKZIYDEJSA-N	403.457	4.635	10	40	HJCB	
COc1cc(/C=C2/SC(Nc3ccccc3)=NC2=O)ccc1OC(=O)c1ccco1	35202660	IBJBNIDBFOQETC-CPNJWEJPSA-N	420.446	4.590	10	40	HJCB	
CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1	219358655	NZLQBXWAUCBSCK-DVECYGJZSA-N	410.558	4.966	10	40	HJCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)c(Cl)c1	409160281	FVLDMIBNENSFNV-NPFCYVKHSA-N	414.939	4.751	10	40	HJCB	
COc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=S)N=C2O)cc1Cl	33422408	CDOVPJMXCLCMMR-DHDCSXOGSA-N	400.887	4.637	10	40	HJCB	
CCOC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc2c1CC[C@@H](C)C2	44827082	XGGJLPOBLGRIPP-QFGUUYLXSA-N	423.538	4.768	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(OC)c1	409177080	CKFCTXDJFRZIFN-FRKPEAEDSA-N	409.891	4.902	10	40	HJCB	
Cc1ccc(C)c(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)c1	5176671	VDLWKUYEMWUDOM-KKVJOTPGSA-N	419.554	4.986	10	40	HJCB	
Cc1cc(NS(=O)(=O)c2ccccc2)cc(-c2nc3cc(Cl)ccc3o2)c1O	9421807	VBHVFUWNOYTVOA-UHFFFAOYSA-N	414.870	4.963	10	40	HJCB	
COc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2Cc2ccccc2)cc1	44086286	QZCKTGYWXRCTOZ-UHFFFAOYSA-N	421.566	4.712	10	40	HJCB	
CC[C@@H](C)n1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21	408895210	CYQJUDCXWTYMLG-RBYWHNRPSA-N	401.466	4.587	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)SC2=S)c(C)c1	409334803	WHDCQOPMRHEDAD-ZHZULCJRSA-N	410.564	4.546	10	40	HJCB	
CC(/C=C1\SC(=S)N(CCCC(=O)NC(C)(C)C)C1=O)=C\c1ccccc1	5370965	NGUJNYQNBLFUFL-FBWUVJDOSA-N	402.585	4.529	10	40	HJCB	
Cc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1C	17052544	HKQIXFDROUFFBN-SANMLTNESA-N	413.565	4.903	10	40	HJCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1Cc1ccccc1	40098900	ZEWOZVFKGDOLDR-UHFFFAOYSA-N	415.537	4.778	10	40	HJCB	
CCCCCC1=NN2C(=N)/C(=C/c3cc(Cl)c(O)c(Cl)c3)C(=O)N=C2S1	41083178	VTAIELINZQXUGT-AOWWYSRTSA-N	411.314	4.898	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(Br)cc1O	408901479	FTEMNODNNHIDSN-OVCLIPMQSA-N	422.325	4.569	10	40	HJCB	
COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C1=O	409138836	IQGSGBFYUHMARI-VCHYOVAHSA-N	404.919	4.739	10	40	HJCB	
Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1	9311846	ZNSCSFQYSIOXEP-CIAFOILYSA-N	421.884	4.507	10	40	HJCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1	222620705	IQXRNQKYNDXZHK-KNXBSLHKSA-N	403.555	4.782	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(C(C)C)cc1	408583993	LCCBWCRDDJMHRC-MOSHPQCFSA-N	406.438	4.595	10	40	HJCB	
CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1	1416731	OMSKMXNSQLVLNA-CPNJWEJPSA-N	411.483	4.678	10	40	HJCB	
CCCOc1ccc(/C=C2/SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1	2293733	WZCZXWQICFMLCN-OQKWZONESA-N	421.566	4.576	10	40	HJCB	
Cc1c(S(=O)(=O)O)ccc(/N=N/c2c(O)c(C(=O)O)cc3ccccc23)c1Cl	3953869	RBQONMJTZICEIN-QZQOTICOSA-N	420.830	4.868	10	40	HJCB	in-vitro
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)c(Cl)c1	34713536	OITHWESNSUUPOF-PDGQHHTCSA-N	422.843	4.520	10	40	HJCB	
CCOC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc2c1CC[C@H](C)C2	44827085	XGGJLPOBLGRIPP-RAOBZKRQSA-N	423.538	4.768	10	40	HJCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)cc1	222943631	KXAOTCUFWJOKLL-DHIUTWEWSA-N	420.582	4.818	10	40	HJCB	
Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)nc1	260755990	CRGHJMMWLMDKPV-NPFVIJTESA-N	403.555	4.782	10	40	HJCB	
CCCN1C(=O)/C(=C\c2ccc(OC(C)C)c(Br)c2)SC1=S	409330382	LQOOVYGOHMHFNK-NTEUORMPSA-N	400.363	4.848	10	40	HJCB	
O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1c1ccc2c(c1)OCO2	409350726	YUAWCZIUPQLSRG-VIZOYTHASA-N	420.309	4.584	10	40	HJCB	
CCOC(=O)c1ccc(-n2c(C)cc([C@@H]3NN=C(c4ccccc4)S3)c2C)cc1	6630646	QJLIVHZFUGWOLA-JOCHJYFZSA-N	405.523	4.968	10	40	HJCB	
O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1CCc1ccccc1	9188664	MZGUBBNDQBPZNY-VBKFSLOCSA-N	404.354	4.893	10	40	HJCB	
COc1ccc(N2CCN([C@@H](C)C(=O)n3c4ccccc4c4ccccc43)CC2)cc1	37100502	ZKJPVARAVWOMNR-IBGZPJMESA-N	413.521	4.654	10	40	HJCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)ccc1OC	209721678	VBNYMSQDESGXFY-LDADJPATSA-N	401.509	4.508	10	40	HJCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cccc(OC)c2)c1C	222876252	CAYLWLCRNAUSKY-PKTZIBPZSA-N	420.582	4.880	10	40	HJCB	
Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1	408869950	ULMRSDKDJSVROB-LFVJCYFKSA-N	424.500	4.869	10	40	HJCB	
CCCCN1CCc2cc(/C=C3\C(=O)N(c4cccc(C)c4)C(=O)N=C3O)ccc21	33345817	DKZROYDANAOFRL-HKWRFOASSA-N	403.482	4.664	10	40	HJCB	
CN(C)c1ccc(/C=C/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	33400717	BNYXHXFAPPJMHG-ONCSWLTESA-N	411.508	4.623	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3cccc(C)c3)C2=O)cc1OC	408761961	IUBNPMUDKNWULE-KGENOOAVSA-N	416.452	4.986	10	40	HJCB	
COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1C(F)(F)F	408979897	SXWSDIJXMYIURJ-JXAWBTAJSA-N	415.411	4.621	10	40	HJCB	
O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S	40144914	GPHSHLXMWBKRJT-ATVHPVEESA-N	419.499	4.932	10	40	HJCB	
Cc1cc(Oc2ccccc2)nc(NC(=S)NCc2ccc(N3CCCC3)cc2)n1	225956297	FPJVEUYURRDUPI-UHFFFAOYSA-N	419.554	4.664	10	40	HJCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(C)cc3)C2=O)cc1	408762843	GOFTVHATROOKPR-PXLXIMEGSA-N	414.436	4.755	10	40	HJCB	
Cc1oc2ccc(O)c(CN3CCC(C)CC3)c2c1C(=O)OCCOc1ccccc1	5182626	HJDATNARMZXSEA-UHFFFAOYSA-N	423.509	4.915	10	40	HJCB	
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1c(O)ccc2ccccc12	6430195	LFIUBUYJHDWZQW-UHFFFAOYSA-N	402.416	4.813	10	40	HJCB	
CCCCC1=NN2C(=N)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N=C2S1	22241609	VIZQCVFBMGALEC-HXBSJJRASA-N	423.454	4.664	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1O	59435736	DPZDIHQBLIVNHW-ZROIWOOFSA-N	404.249	4.576	10	40	HJCB	
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)C1	217872546	NBLBWIFZZOHGNA-HUUCEWRRSA-N	401.894	4.976	10	40	HJCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccc(O)cc1	222616065	LWNHALJQTXGXPR-ITEAAPOESA-N	404.539	4.784	10	40	HJCB	
CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)SC1=S	409329598	FYOWWJBYAVEEKI-YBEGLDIGSA-N	421.927	4.998	10	40	HJCB	
O=C1/C(=C\c2ccncc2)SC(=S)N1c1ccc(Br)c(Cl)c1	409348981	UIWDOQRRDFQWES-NTUHNPAUSA-N	411.733	4.903	10	40	HJCB	
O=C1c2ccccc2C(=O)c2c1c(Nc1ccccc1)cc1c2nnn1-c1ccccc1	9355019	HEEWUJOLKJCKTC-UHFFFAOYSA-N	416.440	4.940	10	40	HJCB	
COc1ccc2[nH]cc(/C=C3\SC(=S)N(c4ccc(NC(C)=O)cc4)C3=O)c2c1	9484670	QHCKBJYKKVFVNZ-OCKHKDLRSA-N	423.519	4.541	10	40	HJCB	
COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4ccccc4OC)C3=O)n2)cc1	12275722	HBVLUQWUPDXMJW-SMIQVMJNSA-N	421.482	4.702	10	40	HJCB	
Cc1ccc(Sc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(C)cc4)C3=O)o2)cc1	12345673	DZPHHBDHKRDCJZ-UYRXBGFRSA-N	418.474	4.714	10	40	HJCB	
COc1ccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccc(F)cc2)cc1	408842200	NSUFCFVQMFJNCZ-XSFVSMFZSA-N	417.396	4.577	10	40	HJCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(Cl)cc2Cl)C1=O	409211159	MXMVDYNXBKHLPE-AWNIVKPZSA-N	409.656	4.622	10	40	HJCB	
COc1ccc2nc(Sc3ccccc3)c(/C=C3/SC(=S)NC3=O)cc2c1	13212874	AEMVILHZAQFECT-GZTJUZNOSA-N	410.545	4.883	10	40	HJCB	
CCN(CC)Cc1c(O)ccc2c(=O)c(-c3ccc(Br)cc3)coc12	20357755	XRIGGVSAUXEEKO-UHFFFAOYSA-N	402.288	4.770	10	40	HJCB	biogenic
CCN1C(=O)/C(=C/c2cn(Cc3cccc(C(=O)O)c3)c3ccccc23)SC1=S	35058819	RPEMZMWZIJZGLE-ODLFYWEKSA-N	422.531	4.609	10	40	HJCB	
Cc1ccc(N(C)CCNC(=S)Nc2ccc(Br)c(Cl)c2)cc1	225795954	UMSSETSOBCLEBN-UHFFFAOYSA-N	412.784	4.834	10	40	HJCB	
CCOc1ccccc1Oc1coc2c(CN3CCC(C)CC3)c(O)ccc2c1=O	20444458	VDXYPUVIFBCTCY-UHFFFAOYSA-N	409.482	4.922	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)SC2=S)cc1	59514305	CYSUWRRAHWMLMR-OQLLNIDSSA-N	406.872	4.663	10	40	HJCB	
COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	408776359	NVAWEZYLCIMHTD-WSVATBPTSA-N	419.308	4.703	10	40	HJCB	
CCn1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)c2ccccc21	2368946	UNYIUZKYGNLHBW-GZTJUZNOSA-N	409.898	4.986	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1Sc1ccccn1	34767168	GLUYPLYASBAFDJ-XMHGGMMESA-N	416.462	4.947	10	40	HJCB	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Cl	223241361	FMSRPDSBPKKHEX-UHFFFAOYSA-N	415.323	4.926	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(O)c(OCC)c1	408974215	DJKIABCGLZFRPQ-MOSHPQCFSA-N	421.493	4.675	10	40	HJCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)c2C)c1	409012982	SDGKWCWDMNOECZ-YDZHTSKRSA-N	417.484	4.943	10	40	HJCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c1C	409018479	WZMABKUXHBAFPS-LPYMAVHISA-N	417.484	4.943	10	40	HJCB	
Cc1ccc2cc(CN(Cc3ccccc3)C(=S)NCc3ccco3)c(=O)[nH]c2c1	883245	NTAINWSPEDXMFY-UHFFFAOYSA-N	417.534	4.506	10	40	HJCB	
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C)o2)cc1	5175587	WLDKRGVMSCIALM-QNGOZBTKSA-N	400.434	4.929	10	40	HJCB	
CN1CCCc2cc([C@@H](CNC(=O)c3ccc(Cl)cc3)N3CCCCC3)ccc21	9137352	LBDVCLPLWWOOHR-HSZRJFAPSA-N	411.977	4.679	10	40	HJCB	
CCN1c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc2C(C)=CC1(C)C	208512097	JZPOYTOKOLXRPQ-STZFKDTASA-N	401.510	4.801	10	40	HJCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222928251	SOXXLJKZMAJXNW-VXKWHMMOSA-N	419.598	4.821	10	40	HJCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)cc(Br)c3O)N21	260759345	GESRDXAFRDZOQC-JLZZUVOBSA-N	418.360	4.838	10	40	HJCB	
C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H](C)Oc3cccc4c3CCCC4)cc2)C1	260800696	VBAMVBHJHFYKHS-VQTJNVASSA-N	406.570	4.885	10	40	HJCB	
COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O	409148743	RDJXIFBORZJJTL-RQZCQDPDSA-N	408.882	4.569	10	40	HJCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1O	409334977	YKVZFIBAMUDSJS-OQLLNIDSSA-N	409.891	4.989	10	40	HJCB	
COc1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1[N+](=O)[O-]	409339165	FKCOKRSEJLTGFS-CXUHLZMHSA-N	418.521	4.731	10	40	HJCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1cccc(F)c1	1182831	OVCKDDHZPJQHLZ-MHWRWJLKSA-N	420.918	4.709	10	40	HJCB	
O=C(O)C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S	5214742	VJWNLDSEFPHOHL-CCAPLTMGSA-N	403.912	4.757	10	40	HJCB	
CC(=O)N1N=C(c2ccccc2O)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1	9260624	KXOCWAPNDQCWAE-DEOSSOPVSA-N	422.488	4.943	10	40	HJCB	
CC1CCN(C(=O)C2=CN(c3ccc(C(C)C)cc3)c3ccccc3S2(=O)=O)CC1	21359452	VDSSGLIKKIAOKP-UHFFFAOYSA-N	424.566	4.835	10	40	HJCB	
O=C1NN(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1	669316	XIVNLCQGJACNPA-XNTDXEJSSA-N	417.223	4.854	10	40	HJCB	
CC(/C=C1\SC(=S)N(CC(=O)Nc2ccc(C)cc2)C1=O)=C\c1ccccc1	1314007	VAAPEQDSCFHVPH-UBSBAQTRSA-N	408.548	4.781	10	40	HJCB	
CC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	9282662	WRPSQJOSQVCKJA-DSITVLBTSA-N	419.480	4.709	10	40	HJCB	
CC(C)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1	408849345	ZOEJQERKDUMAHB-GXDHUFHOSA-N	419.333	4.948	10	40	HJCB	
Cc1cc(C(=O)COc2ncnc3ccccc23)c(C)n1-c1ccc(OC(F)F)cc1	3355568	IYWUVJXKMIMSIV-UHFFFAOYSA-N	423.419	4.900	10	40	HJCB	
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)c1	5163766	DSKCWVBUANWTGT-VQQXQELJSA-N	419.554	4.986	10	40	HJCB	
COc1ccc(C(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2cccc(OC)c2O)cc1	9260825	VYJRSILRCYOLBJ-JOCHJYFZSA-N	416.477	4.709	10	40	HJCB	
CN1CCc2cc([C@@H](CNC(=O)C34CC5CC(CC(C5)C3)C4)N3CCCCC3)ccc21	13007696	WVFFBVUHNSZYBT-XTOQWRRBSA-N	421.629	4.539	10	40	HJCB	
CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1ccc(Cl)cc1	44085619	HEFZZQVQNWNXTF-UHFFFAOYSA-N	401.919	4.963	10	40	HJCB	
COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1	6865658	WBQUEWFXRNLPPC-UHFFFAOYSA-N	412.873	4.552	10	40	HJCB	
COc1ccccc1/N=c1\scc(-c2ccc(O)c(O)c2)n1-c1ccccc1OC	15565744	ICYIFXXQCGZAJW-VHXPQNKSSA-N	420.490	4.867	10	40	HJCB	
O=C1/C(=C/c2cccc3c2OCO3)SC(=S)N1c1ccc(Br)cc1	28629372	FIHYHEWNPGKZEX-ZSOIEALJSA-N	420.309	4.584	10	40	HJCB	
CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccc(Cl)cc1	1086326	PBVDNQUUKYBSRP-LICLKQGHSA-N	405.928	4.807	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)N=C2S1	5249778	ZZGRFXLDHBPZBU-PEFFPKTRSA-N	409.490	4.653	10	40	HJCB	
CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)o2)cc1	59135436	DCWBEYKMSULGSI-XDHOZWIPSA-N	418.380	4.795	10	40	HJCB	
O=C(NN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)c1ccc(Cl)cc1	206726788	ZLJGXNQYJVRLPI-NTEUORMPSA-N	409.319	4.540	10	40	HJCB	
CC1CCN(c2ccc([C@@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)CC1	218124436	ZIVBWCODFOITNF-OAHLLOKOSA-N	401.894	4.976	10	40	HJCB	
COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1	224784832	GHUQLRHDYDABNL-IBGZPJMESA-N	416.587	4.588	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C(\Nc1ccc(Cl)c([N+](=O)[O-])c1)C(F)(F)F	408999295	QQRHUOPUVBLDFI-NXVVXOECSA-N	424.766	4.899	10	40	HJCB	
COc1ccc2c(c1)c(/C=C1\SC(=S)N(c3ccc(O)cc3)C1=O)c(C)n2C	9419204	CUBIAUFHTUTZTI-ODLFYWEKSA-N	410.520	4.607	10	40	HJCB	
Cc1ccc([C@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)cc2C)nc1	19215499	QUCHKEPFZSMISH-DEOSSOPVSA-N	407.583	4.670	10	40	HJCB	
CCCn1cc(/C=C2\C(=O)N(CCc3ccccc3)C(=O)N=C2O)c2ccccc21	33332583	YFOJUOWYNAQMFT-HKWRFOASSA-N	401.466	4.596	10	40	HJCB	
c1csc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(N3CCOCC3)cc2)c1	105833395	XZAVUHKDEYOGSS-XUZZJYLKSA-N	417.534	4.827	10	40	HJCB	
COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1C	225869847	YBFJBRRAFYQZRU-LJQANCHMSA-N	416.587	4.588	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(C(=O)N(C)C)cc3)cc2)C1	260742751	YSYIKQPTUILWHK-ZWKOTPCHSA-N	424.614	4.672	10	40	HJCB	
CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S	5374202	MPKRQKMZUJJWBH-PFIVJWCNSA-N	404.340	4.694	10	40	HJCB	
O=C(c1ccncc1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1O	9465435	MSZXBQPIAUHVDL-IBGZPJMESA-N	422.282	4.541	10	40	HJCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1	222637308	GOEZXFDTPMHMQQ-WQTXXOFMSA-N	404.539	4.779	10	40	HJCB	
COc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OC	260578032	UAHNKMNNXKCPLH-OALUTQOASA-N	410.558	4.750	10	40	HJCB	
CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OC(C)=O	409330316	KQWMOMRWDQDHRA-UNOMPAQXSA-N	413.520	4.725	10	40	HJCB	
CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1	1346162	BVVSDQQJCPYORX-UHFFFAOYSA-N	420.494	4.993	10	40	HJCB	
CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1OC	13583641	QFTMIQQJUYYAGG-PDGQHHTCSA-N	401.509	4.508	10	40	HJCB	
C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccc(N2CCOCC2)cc1	9740402	ZHQDTQOHYCVJHY-DFBJGRDBSA-N	413.521	4.851	10	40	HJCB	
O=C(O)c1cc(Br)cc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21	58928811	UEZDFUOHJKCJQX-KEYYUXOJSA-N	415.243	4.882	10	40	HJCB	
CCCCCN/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1c1ccc(OC)cc1	112127321	ORWVJSRBXOITHQ-XLNRJJMWSA-N	407.514	4.509	10	40	HJCB	
O=C1NC(=S)S/C1=C\c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1	408881857	OTSNTDREKRHWCS-JYRVWZFOSA-N	410.303	4.701	10	40	HJCB	
Cc1cc(C)c(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)c(C)c1	408967685	WRUIWANFOHJISY-XKZIYDEJSA-N	413.546	4.790	10	40	HJCB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1OCc1ccccc1	13810517	AKQUSEHEMCICRZ-JCMHNJIXSA-N	419.521	4.984	10	40	HJCB	
CC1CCN(c2ccc([C@H](C)NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1	219204056	GWNKDJOGTOUAIJ-IBGZPJMESA-N	405.542	4.541	10	40	HJCB	
CC[C@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1	219565268	ZDCPZWKXUVZTAL-KNKQGSTJSA-N	410.558	4.966	10	40	HJCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C	222875777	NOTFGAUTJZBZRG-FCHUYYIVSA-N	406.555	4.577	10	40	HJCB	
CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1ccc(I)cc1	13590835	XHBGSYPDLDCOHU-WJDWOHSUSA-N	419.291	4.811	10	40	HJCB	
COc1ccc(N2CCN(C(=O)c3sc4cc(OC)ccc4c3Cl)CC2)cc1	1258934	NWOBPJSDMRYEMH-UHFFFAOYSA-N	416.930	4.534	10	40	HJCB	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cccc(OC(F)(F)F)c1	112290614	CDRROVRILYWENC-BOPFTXTBSA-N	420.347	4.602	10	40	HJCB	
CCOC(=O)c1sc2nc3c(c(-c4ccc(OC)cc4)c2c1N)C(=O)CC(C)(C)C3	3073437	KTLFWHTVOGWVCF-UHFFFAOYSA-N	424.522	4.886	10	40	HJCB	
Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)NC34CC5CC(CC(C5)C3)C4)c2C)cc1	6044468	OWLBFMYQQPHZNW-UHFFFAOYSA-N	420.553	4.644	10	40	HJCB	
CCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2OC)c1O	21360389	DIVZJPBRYPPWAY-HSZRJFAPSA-N	420.465	4.579	10	40	HJCB	
CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1	219565041	ZDCPZWKXUVZTAL-XQBPLPMBSA-N	410.558	4.966	10	40	HJCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C4CCCC4)c3C)C2=O)c1	408775810	SFVWQVDBDXYWCT-FYJGNVAPSA-N	405.498	4.503	10	40	HJCB	
Cc1cccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccc(F)cc2)c1	408843526	NMFYPRFCTVSBCU-XSFVSMFZSA-N	401.397	4.877	10	40	HJCB	
CCOc1ccccc1N1C(=O)/C(=C\c2cccc(OC)c2OC)SC1=S	6080551	RXUVZWDWFYUGTM-SFQUDFHCSA-N	401.509	4.508	10	40	HJCB	
O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccccc1Cl	35640667	STFCGLFTKJQGGX-PTNGSMBKSA-N	406.916	4.553	10	40	HJCB	
CCN1c2cc(C)c(/C=c3\sc4nc5ccccc5n4c3=O)cc2[C@@H](C)CC1(C)C	223580815	DCJQLCBIGDTGFJ-GLFIFPSUSA-N	417.578	4.877	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc12	408999453	LEQDKZQCSKRGOZ-MOSHPQCFSA-N	403.409	4.562	10	40	HJCB	
CCCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)C(=O)N(c2ccccc2)C1=S	409023163	SYICUNMNADLAFW-HMMYKYKNSA-N	417.534	4.615	10	40	HJCB	
COc1ccc2cc(/C=C3\SC(=S)NC3=O)c(Sc3ccccc3)nc2c1	13810575	PUHRATBYTGOPKL-YVLHZVERSA-N	410.545	4.883	10	40	HJCB	
O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CN2CCCCCC2)cc1	44910715	MKSPZBMKFMINMN-UHFFFAOYSA-N	405.586	4.983	10	40	HJCB	
COc1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1I	83320743	XACABTGYRALITA-OQLLNIDSSA-N	418.230	4.590	10	40	HJCB	
COc1cc(C2=NN(C(=O)[C@H](OC)c3ccccc3)[C@H](c3cccs3)C2)ccc1O	95946428	XNFQKMJGCXDQLX-PGRDOPGGSA-N	422.506	4.528	10	40	HJCB	
Cc1cc(C)c(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)c(C)c1	4745563	NXAVFATXWNHIII-SFQUDFHCSA-N	414.552	4.825	10	40	HJCB	
CCc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1	8914021	PMINPUGQAZEKHL-QPEQYQDCSA-N	405.237	4.768	10	40	HJCB	
COc1cc(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)cc(OC)c1	11619280	FSHFGVSURHXSQQ-UHFFFAOYSA-N	406.438	4.662	10	40	HJCB	
CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)S1	13940185	IEFJIRGIEKCHIL-MFOYZWKCSA-N	421.305	4.679	10	40	HJCB	
O=S(=O)(Nc1cc(Cl)ccc1Oc1ccccc1)c1cccc2nsnc12	19077262	YZACUYHBGHOUAE-UHFFFAOYSA-N	417.899	4.938	10	40	HJCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C(O)=NC1=S	59182269	BKXQLJWYAYLYBR-RIYZIHGNSA-N	422.337	4.888	10	40	HJCB	
CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	13369894	LICYIYAAMQMKJL-UYRXBGFRSA-N	420.852	4.558	10	40	HJCB	
Cc1cccc(-n2c(C)cc(C(=O)CSc3nnc(C(F)(F)F)n3C)c2C)c1	48354673	ZZMZMVRNTUDPHL-UHFFFAOYSA-N	408.449	4.525	10	40	HJCB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=S)N(C)C3=O)c2C)ccc1Br	409123751	IMRNGAIWOSKCAD-SXGWCWSVSA-N	421.385	4.996	10	40	HJCB	
COc1ccc(OC)c(/C=C2/SC(Nc3ccccc3Br)=NC2=O)c1	2254982	KPOLMFAWXGSHTO-MHWRWJLKSA-N	419.300	4.549	10	40	HJCB	
Cc1ccc(C)c(S(=O)(=O)Nc2cc(Br)c(O)c3ccccc23)c1	5516286	AQVSLTODWFWXPJ-UHFFFAOYSA-N	406.301	4.726	10	40	HJCB	
COc1ccc(CN2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c(O)c1	12185757	YGDPKRDUPAIFOA-HXUWFJFHSA-N	422.481	4.902	10	40	HJCB	
Cc1cc(/C=C2\SC(Nc3ccc(Br)cc3)=NC2=O)cc(C)c1O	33871223	MXUPFFCVJSSEFY-DHDCSXOGSA-N	403.301	4.854	10	40	HJCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C	222883323	FVAJINXIYXKTAB-VXKWHMMOSA-N	405.571	4.575	10	40	HJCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(O)cc1	222921556	JTCJCOPHYOZPEO-DHIUTWEWSA-N	420.582	4.823	10	40	HJCB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NNc1ccc(Cl)cc1	408536796	YDVVERIGTHYAFN-YBEGLDIGSA-N	419.710	4.634	10	40	HJCB	
O=C(Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2)c1ccc(Cl)cc1Cl	2587039	PREIJVXDCSNASS-VBHSOAQHSA-N	404.249	4.751	10	40	HJCB	
CCCCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(F)cc3)C(=O)N=C2S1	41083030	CXPHTLZHGSKYQQ-JSIBOBQWSA-N	409.490	4.816	10	40	HJCB	
Cc1cc(C)n2c(SCC(=O)Nc3ccc(/N=N/c4ccccc4)cc3)nnc2n1	5213456	FXDJTRRIGWZDFQ-OCOZRVBESA-N	417.498	4.887	10	40	HJCB	
CCOc1cc(/C=C2\C(=N)N3OC(C)=CC3=NC2=O)ccc1O[C@H](C)c1ccccc1	41078300	NLFCTPGMQWXHGR-JVNQWOCHSA-N	417.465	4.676	10	40	HJCB	
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1C(C)C	409241429	NGGOUEPRUHPXJR-UDWIEESQSA-N	409.555	4.641	10	40	HJCB	
Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2	6657690	WEQPASINDQPUNQ-UHFFFAOYSA-N	421.522	4.859	10	40	HJCB	
O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1C[C@H]1CCCO1	9189332	ZIHJRTRGRRPMOU-PQDCBLBRSA-N	411.548	4.646	10	40	HJCB	
COc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1	13476230	GNGNUMOKARGYGC-XNTDXEJSSA-N	406.326	4.864	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(OCC)c1O	14406614	SOKIXVNRHPXHKT-ZHZULCJRSA-N	421.493	4.675	10	40	HJCB	
CC(=O)c1cc(Cl)ccc1OC[C@@H](O)CNc1ccccc1C(=O)c1ccccc1	16941213	ANDPJMPCOIMXCR-IBGZPJMESA-N	423.896	4.625	10	40	HJCB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2c(F)cccc2Cl)cc1	59194198	YFSWZNRGISMISF-QGOAFFKASA-N	422.843	4.520	10	40	HJCB	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(OC)cc1OC	112286393	PQBRYRBQXOPMDI-JCMHNJIXSA-N	409.486	4.601	10	40	HJCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(-c4ccccc4)[nH]c4ccccc34)C2=O)cc1	9318072	CTSIZGIRCMHWOH-RCCKNPSSSA-N	421.456	4.810	10	40	HJCB	
CCN(CC)c1ccc(CN2CCC(c3noc(-c4ccccn4)n3)CC2)c(C)c1	12222118	HKWNCSBFGWZTFX-UHFFFAOYSA-N	405.546	4.666	10	40	HJCB	
O=C1/C(=C\c2ccccc2F)SC(=S)N1C(=O)c1ccccc1Br	33673856	QTRXGWKGIXBZMY-NTEUORMPSA-N	422.300	4.630	10	40	HJCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccn1	225008755	GHEHWXTYSPIHOP-DHIUTWEWSA-N	417.582	4.799	10	40	HJCB	
COc1cc(C)c(C)cc1C1(c2cc(C)c(C)cc2O)C(=O)c2ccccc2C1=O	1574125	JROCSXBYPWJROR-UHFFFAOYSA-N	400.474	5.000	10	40	HJCB	
CCCCCCc1c(C)c2ccc(O)c(CN[C@@H](C(=O)O)[C@@H](C)CC)c2oc1=O	12661672	YYECOTLRINGOBL-VBKZILBWSA-N	403.519	4.519	10	40	HJCB	biogenic
O=C(O)c1cccc(-n2cccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)c1	409100914	VYLVFQVMTCIDNM-AQTBWJFISA-N	406.488	4.581	10	40	HJCB	
Cc1cccc(C)c1NC(=O)[C@@H](c1ccc(N(C)C)cc1)N1C(=O)C[C@H]1c1ccco1	1083543	CUDHQDOBFYDTCA-GBXCKJPGSA-N	417.509	4.616	10	40	HJCB	
Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@@H]2c1cccnc1	10215231	ZQQMNRDIMDNTPA-GHTZIAJQSA-N	422.282	4.792	10	40	HJCB	
COc1ccc(CCN2C(=O)/C(=C/c3c[nH]c4cc(OC)ccc34)SC2=S)cc1	51330848	RRPKRJIRAMYNRI-JAIQZWGSSA-N	424.547	4.629	10	40	HJCB	
COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c1	225695666	FGGDTIICNZLDAG-CQSZACIVSA-N	417.962	4.774	10	40	HJCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccccc1Cl	980781	FQJJHSYJGMBERX-DEDYPNTBSA-N	405.885	4.840	10	40	HJCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2O)ccc1OCc1ccccc1	4699555	ZLIZTGNQLJNTKJ-ZHZULCJRSA-N	400.434	4.576	10	40	HJCB	
O=C1c2ccccc2N[C@H](c2cc(Cl)ccc2O)N1c1ccc2c(c1)OCCO2	12631923	TVEMTFIBDVGACO-NRFANRHFSA-N	408.841	4.588	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1Br	14406557	QGBDLZPYSFEOHQ-LGMDPLHJSA-N	412.283	4.716	10	40	HJCB	
CCOC(=O)c1c(N/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)sc2c1CCCC2	101112486	VFGCIZXKYSPXCD-QGOAFFKASA-N	423.538	4.831	10	40	HJCB	
CCN(CC)c1ccc(CNC(=O)CSCc2ccc(Br)cc2)cc1	223841062	LOAHMMCPPLXHKJ-UHFFFAOYSA-N	421.404	4.845	10	40	HJCB	
Oc1ccc([C@@]23CCCC[C@H]2C2(CCCCC2)c2ccc(O)c(O)c2O3)c(O)c1O	4601483	CMIFNKWYNSYEJE-UUOWRZLLSA-N	412.482	4.895	10	40	HJCB	
O=C(O)c1ccccc1/N=N/[C@@H]1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1	8417189	WQGIOSWMNJENAS-SMIQVMJNSA-N	416.462	4.633	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc(OC)c1OC	16676506	ZXQWJJBCMJHXSW-HTMJNSLASA-N	415.536	4.675	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)N=C2S1	41083401	ZZGRFXLDHBPZBU-STSBFZDFSA-N	409.490	4.653	10	40	HJCB	
Cc1nccn1Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1	44854998	LHAXKPBVEKCKCT-PMACEKPBSA-N	416.569	4.967	10	40	HJCB	
COc1ccccc1/C=C1/N=C(c2ccccc2Cl)N(c2ccc(O)cc2)C1=O	408758905	ULZUROHMRANXKL-XSFVSMFZSA-N	404.853	4.889	10	40	HJCB	
COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2ccc(OC)cc2)C4)cc1	2117111	GBQJFTQGVZRVAM-UHFFFAOYSA-N	415.445	4.834	10	40	HJCB	biogenic
CCCCOc1ccccc1/C=C1/SC(N2CCN(c3ccccc3)CC2)=NC1=O	2315897	ACLSYYOGYVBZQD-RELWKKBWSA-N	421.566	4.658	10	40	HJCB	
Cc1ccc2oc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)c(C)c2c1	6747974	LATQKBKEEFZIFM-NRFANRHFSA-N	406.526	4.937	10	40	HJCB	
O=C(NN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S)c1ccccc1	9188730	BJJJEKNGDTXOKA-ZROIWOOFSA-N	409.319	4.540	10	40	HJCB	
CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S	10232878	AQEYESZBGLCPIU-GRRFOWRYSA-N	407.900	4.664	10	40	HJCB	
Cc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1C	1217306	UFLVUELUFNMCSA-ATVHPVEESA-N	416.593	4.985	10	40	HJCB	
CCCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)Nc1ccc(N(C)C)cc1	1355659	JIZJBMLZUWSQKX-UHFFFAOYSA-N	424.570	4.766	10	40	HJCB	
COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O	9188678	AKFYAKPVUOSWAC-JFENUBAZSA-N	415.536	4.675	10	40	HJCB	
CCOC(=O)c1ccc(C)c(NC(=S)NCCCN(CC)c2ccc(C)cc2)c1	225734423	BOSMNLVVIUZKHV-UHFFFAOYSA-N	413.587	4.683	10	40	HJCB	
CCN(CCCNC(=S)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccc(C)cc1	225734863	GOFZGQRSPDVVMZ-UHFFFAOYSA-N	424.614	4.633	10	40	HJCB	
CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N=C2S1	9308989	XWKMQALQKZPVSN-WBIXSPHCSA-N	423.567	4.732	10	40	HJCB	
CCOCCOc1ccc(Br)cc1CNCc1ccc(N(C)C)c(C)c1	89987019	SBKNTRNBXKBRMR-UHFFFAOYSA-N	421.379	4.529	10	40	HJCB	
C[C@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC(c2ccccc2Cl)=NO1	141567716	SSIWDQXBIBXZCK-HSZRJFAPSA-N	411.933	4.530	10	40	HJCB	
CCn1c(/C=C2\C(=O)N(Cc3ccccc3)c3ccccc32)nc2ccccc2c1=O	18114284	PHHFNZFIPPGQFV-PGMHBOJBSA-N	407.473	4.504	10	40	HJCB	
Cc1cc(C)c2[nH]c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)cc2c1	41074247	UHGMJBYFYPJKLJ-WQRHYEAKSA-N	406.532	4.546	10	40	HJCB	
CCCCC1=NN2C(=N)/C(=C/c3cccn3-c3c(C)cccc3C)C(=O)N=C2S1	41082803	XGTGWNAVADUSID-HVZAKDRGSA-N	405.527	4.904	10	40	HJCB	
COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cccc2ccccc12	59435789	UTLUBGMWPSWENK-HAHDFKILSA-N	413.473	4.721	10	40	HJCB	
CCN1/C(=C2/SC(=S)N(Cc3ccccc3)C2=O)C=Cc2cc(OC)ccc21	103504296	NFTAXEMAARPDIL-FMQUCBEESA-N	408.548	4.820	10	40	HJCB	
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccccc4)o3)C2=O)c1	408758885	TZAAIYVGFNCVRJ-CPNJWEJPSA-N	418.474	4.714	10	40	HJCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1	408936382	FTKGOJQLNDHMPN-PXLXIMEGSA-N	414.436	4.847	10	40	HJCB	
Cc1cc(/C=C2/C(=O)N=C(O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1	1310333	RGTUCMAZPAQGOE-MOSHPQCFSA-N	419.868	4.618	10	40	HJCB	
CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C(=O)N=C2S1	2180509	POTKTMSHXRZLDW-OXMFYWCOSA-N	423.567	4.651	10	40	HJCB	
COc1ccc(-c2cc3ccc(O)c(CN4CCCC[C@@H]4C)c3oc2=O)cc1OC	4353843	DSLSBQSPPJSXKS-HNNXBMFYSA-N	409.482	4.557	10	40	HJCB	biogenic
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)SC2=S)cc1	9188755	JRIPUSUDULLDIP-AQTBWJFISA-N	410.564	4.839	10	40	HJCB	
Oc1ccccc1CN(C[C@H]1CCCO1)C(=S)Nc1cccc(C(F)(F)F)c1	16310507	LRSXLGHLONAQQG-QGZVFWFLSA-N	410.461	4.789	10	40	HJCB	
CC1=CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc21	208441480	MSTMPBLHWTYHDG-NDENLUEZSA-N	405.473	4.550	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1OC(C)=O	409350243	RFUOUVHVBCXVHZ-RQZCQDPDSA-N	419.911	4.680	10	40	HJCB	
COc1ccccc1/C=C1\SC(=S)N(c2ccccc2Br)C1=O	13714870	QRIQBKOCHVMHMI-GDNBJRDFSA-N	406.326	4.864	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)C1	260466306	NBLBWIFZZOHGNA-GJZGRUSLSA-N	401.894	4.976	10	40	HJCB	
Cc1ccc(S(=O)(=O)N2C=Cc3ccccc3[C@@H]2c2ccc(N(C)C)cc2)cc1	3178507	XAGBUXHWUNKKOH-DEOSSOPVSA-N	404.535	4.826	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Br)c1O	209721258	HGPGTEQZUSCTDM-NTEUORMPSA-N	422.325	4.569	10	40	HJCB	
CCOc1cc(N(CC)CC)ccc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21	222604725	ZCDOPRAYMMKXIS-SSKFGXFMSA-N	410.587	4.916	10	40	HJCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1OC(C)=O	409350287	XNGNDQFRHXODNM-ZDLGFXPLSA-N	417.483	4.556	10	40	HJCB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1cccc(F)c1	9309310	ANCNRUPHNMTGDT-YENWFTGLSA-N	423.517	4.899	10	40	HJCB	
CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1	219564723	AZHXSXMNRYBSOY-SIKLNZKXSA-N	410.558	4.966	10	40	HJCB	
COc1ccc(N2CCN(C(=O)c3ccccc3SCc3ccccc3)CC2)cc1	7367069	QWIVHICITXSRMP-UHFFFAOYSA-N	418.562	4.950	10	40	HJCB	
O=C(NN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S)c1cccs1	9232359	GNDOJRNCCZHAOG-WUXMJOGZSA-N	415.348	4.601	10	40	HJCB	
Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1	102324349	JSBRSEPGYHHAIJ-CYYJNZCTSA-N	419.485	4.522	10	40	HJCB	
C[C@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccc(N2CCCCC2)cc1	225665548	JICDWXNBHOZTHM-SFHVURJKSA-N	422.598	4.851	10	40	HJCB	
Cc1onc(-c2ccccc2)c1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1	8744709	KLTBNBFOIVMWAJ-JOCHJYFZSA-N	419.525	4.537	10	40	HJCB	
COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c(OC)c1OC	9310255	OKQXCWQODWQWSV-OQLLNIDSSA-N	421.927	4.772	10	40	HJCB	
Cc1cccc(-n2c(C)cc(C(=O)N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)c2C)c1	40080409	ZUKFSJAPNMCWSC-SFHVURJKSA-N	424.566	4.639	10	40	HJCB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1	218757848	IWHPEOXPRQJAPT-IECBHUPTSA-N	410.558	4.966	10	40	HJCB	
Cc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)c(C)n1-c1ccc(Cl)c(F)c1	408829903	RAYFGDVMJHQYSB-UHFFFAOYSA-N	403.837	4.640	10	40	HJCB	
COc1ccccc1[C@@H](CNC(=O)c1ccc(-n2c(C)ccc2C)cc1)N1CCCC1	5699513	KMNSLEBPTRCABL-XMMPIXPASA-N	417.553	4.670	10	40	HJCB	
CN1CCc2cc([C@@H](CNC(=O)c3cc(Cl)ccc3Cl)N3CCCC3)ccc21	8963299	KYZYTZXEHOHWKA-OAQYLSRUSA-N	418.368	4.553	10	40	HJCB	
C[C@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccc(N2CCOCC2)cc1	9740409	ZHQDTQOHYCVJHY-CLOONOSVSA-N	413.521	4.851	10	40	HJCB	
CCCCC1=NN2C(=N)/C(=C/c3cccn3-c3cccc(Cl)c3)C(=O)N=C2S1	13280962	KDRQCMTVFWICKC-DXGGMCDASA-N	411.918	4.940	10	40	HJCB	
COc1ccccc1N1C(=O)/C(=C/c2cc(Cl)c(OC)c(OC)c2)SC1=S	206900891	XBWQOJPUAQVIGD-YBEGLDIGSA-N	421.927	4.772	10	40	HJCB	
COC(=O)c1ccc(NC(=O)c2ccc3nc4ccc5ccccc5c4nc3c2)cc1	408722151	PLJOXUYMUZPIFG-UHFFFAOYSA-N	407.429	4.975	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1	408761406	DZGQUDPUYQAPKG-CJLVFECKSA-N	413.433	4.828	10	40	HJCB	
COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1OC	225668336	ANECCWLFBFIYRB-SJORKVTESA-N	413.587	4.988	10	40	HJCB	
CC1(C)CC(NCc2c(O)ccc3c(-c4ccccc4)cc(=O)oc23)CC(C)(C)N1	9184048	KFGUHQITACFVFM-UHFFFAOYSA-N	406.526	4.564	10	40	HJCB	
Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@@H]2c1ccco1	10215260	WPPRXYCTQGAEQO-OXJNMPFZSA-N	411.255	4.990	10	40	HJCB	
CC(C)COc1ccccc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O	408598870	BYVUPILCOHTZBK-DJKKODMXSA-N	413.520	4.856	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(F)cc3)C2=O)cc1	408755415	USZQOHQTYWKTRU-PXLXIMEGSA-N	402.425	4.677	10	40	HJCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/c3c4ccccc4cc4ccccc34)C2=O)c1	408740810	MUSWJFYHESAEKU-HAHDFKILSA-N	406.441	4.968	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)C(=O)NC2=S)c(C)c1	408772151	DJRYZKSAQZLIIL-DEDYPNTBSA-N	421.566	4.668	10	40	HJCB	
Cc1ccccc1N1CCN(C(=S)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1	2347741	WEJUBSFTGTUOAC-UHFFFAOYSA-N	407.495	4.661	10	40	HJCB	
COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)c1cc(C)n(-c2ccccc2)c1C	6654046	DNPDZRRIAZKLKW-INIZCTEOSA-N	405.498	4.744	10	40	HJCB	
Cc1oc2ccc(O)c(CN3CCN(C)CC3)c2c1C(=O)Nc1ccc(C(C)C)cc1	19794015	VUDMBYBVTRDPRT-UHFFFAOYSA-N	421.541	4.570	10	40	HJCB	
CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(Cl)ccc4C)c3C)C(=O)N=C2S1	33912079	PMNWPMNEHRNDDB-JEVXPMSVSA-N	411.918	4.695	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])N=C2c2ccc(F)cc2)cc1	408842690	PPTMETHHFLOGLU-XSFVSMFZSA-N	417.396	4.577	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-]	408896313	XQZNIWZIYNELSX-ATVHPVEESA-N	412.829	4.516	10	40	HJCB	
Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1N1CCOCC1	409215905	BZXLKYYCNNDQAQ-XDHOZWIPSA-N	414.914	4.726	10	40	HJCB	
O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CNc1ccc([N+](=O)[O-])cc1	3843291	AYOGDHXPEDKTAH-DHDCSXOGSA-N	405.888	4.519	10	40	HJCB	
COc1ccccc1C1=N/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1cccc(C)c1	408839952	BQECVGYJWZVPNU-HAVVHWLPSA-N	411.505	4.904	10	40	HJCB	
COc1ccc(Br)cc1[C@@H]1Nc2ccc(C(=O)O)cc2[C@H]2C=CC[C@@H]21	4959441	NZGRRGAZVGOZOV-CKFHNAJUSA-N	400.272	4.982	10	40	HJCB	
Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1-c1cccc(C(F)(F)F)c1	5405066	FXDFKNKPJBYQMA-UHFFFAOYSA-N	412.462	4.522	10	40	HJCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222928060	SOXXLJKZMAJXNW-FGZHOGPDSA-N	419.598	4.821	10	40	HJCB	
Cc1cccc(Nc2cc(N3CCNCC3)c3noc4c3c2C(=O)c2ccccc2-4)c1	2303170	ROJCFVCLTFAFMB-UHFFFAOYSA-N	410.477	4.501	10	40	HJCB	
COc1cc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)cc(OC)c1OC	36245370	QLNJTUGXNOHXNJ-NRFANRHFSA-N	417.465	4.563	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(C)cc1	59959278	UBXMWLVCOLBVBT-WQRHYEAKSA-N	412.283	4.635	10	40	HJCB	
CCCN1C(=O)/C(=C\c2cc(C)n(C(C)(C)C)c2C)C(=O)N(c2ccccc2)C1=S	409022728	QNBZTHLGUXVRRB-HMMYKYKNSA-N	423.582	4.814	10	40	HJCB	
O=C1NC(=S)S/C1=C\c1cccc(OCc2ccc(Br)cc2)c1	2777148	TUIARLAKNVBMSU-DHDCSXOGSA-N	406.326	4.517	10	40	HJCB	
CCN(CC)c1ccc(/C=C2\C(=O)Nc3ccc(Br)cc32)c(OC)c1	5609165	CUWULEOKGBQLDY-YVLHZVERSA-N	401.304	4.797	10	40	HJCB	
COc1ccc(CN(C(=O)CSc2ncc(-c3ccc(C)cc3)n2C)C2CC2)cc1	12556829	YZEQZZBCJRFOEY-UHFFFAOYSA-N	421.566	4.687	10	40	HJCB	
Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)cc1	26965151	KLSFYHYZCWZHJV-AQTBWJFISA-N	410.564	4.839	10	40	HJCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1	222620904	IQXRNQKYNDXZHK-SSKFGXFMSA-N	403.555	4.782	10	40	HJCB	
CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C	222788200	ITFDTHLFYOBFNH-PKTZIBPZSA-N	419.598	4.548	10	40	HJCB	
COc1cc(N2CCCCC2)ccc1/C=C1\SC(=O)N(Cc2ccccc2)C1=O	409229500	PZDISYIOEINMSG-STZFKDTASA-N	408.523	4.922	10	40	HJCB	
Cc1cc(C(=O)OCC(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(F)cc1	5660335	KYPMGLXFXDDSEQ-UHFFFAOYSA-N	400.837	4.682	10	40	HJCB	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nc(-c2ccccc2)no1	9126769	NPQIGNLZJQCJRP-UHFFFAOYSA-N	420.494	4.684	10	40	HJCB	
O=C1NC(=S)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)S1	13660568	LNZRCVRMWOOKDX-NVNXTCNLSA-N	406.872	4.952	10	40	HJCB	
COc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1Cc1c(C)noc1C	19120537	FDPMPAYWYDPVAM-WMZHIEFXSA-N	409.530	4.688	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1O	409052529	IIAMQICGFWAFMX-SXGWCWSVSA-N	405.928	4.764	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1	6170466	MTWUJLDWEYIFIU-GDNBJRDFSA-N	406.326	4.864	10	40	HJCB	
CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N=C2S1	9292316	CBURGYGNPRAISE-WZBMNHFVSA-N	423.567	4.651	10	40	HJCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3OCC)C2=O)ccc1O	17315936	SDGJTAPABNULBK-LDADJPATSA-N	401.509	4.595	10	40	HJCB	
COc1ccc(N2CCOCC2)c(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1	19894057	QXGSGOIBTWENGZ-UHFFFAOYSA-N	414.933	4.636	10	40	HJCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C	222966216	XLAXQUHDFJLMBR-DHIUTWEWSA-N	420.582	4.967	10	40	HJCB	
CC1(C)CCc2cc(S(=O)(=O)Nc3ccccc3C(=O)c3ccccc3)ccc2O1	223668290	ADSODDRPVXTTDE-UHFFFAOYSA-N	421.518	4.822	10	40	HJCB	
COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc4ccccc34)c2C)C1=O	409138701	GUVJVZZWELSBJV-KGENOOAVSA-N	406.507	4.930	10	40	HJCB	
CCc1ccc(NC(=O)NC[C@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)cc1	585145931	BDMDRWYTVLQDMG-MRXNPFEDSA-N	407.436	4.796	10	40	HJCB	
Cc1ccc(N2NC(=O)/C(=C/c3ccccc3OCc3ccccc3)C2=O)cc1Cl	4470269	ISJNOJWSYKFEGG-MOSHPQCFSA-N	418.880	4.689	10	40	HJCB	
O=C(COc1ccc(Cl)cc1Cl)N1C(=O)/C(=C/c2ccccc2)SC1=S	16450951	RNHQFYUHUUCPJH-NVNXTCNLSA-N	424.330	4.800	10	40	HJCB	
COc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OC	260578041	UAHNKMNNXKCPLH-RBUKOAKNSA-N	410.558	4.750	10	40	HJCB	
COc1ccc(C2=C/C(=C\c3cc(Cl)cc(Cl)c3OC(C)=O)C(=O)O2)cc1	408744644	ZDDGURNBKLJSCM-VGOFMYFVSA-N	405.233	4.909	10	40	HJCB	
COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1	223138654	HSZQPIIBJOJZIJ-INIZCTEOSA-N	422.978	4.624	10	40	HJCB	
CN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2ccccc2)SC1=S	4575302	DGTPXZBBXNUARU-ATVHPVEESA-N	405.928	4.629	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)c3ccccc3C2=O)cc1	33635083	ALGWZPATPGHNNA-JJIBRWJFSA-N	412.489	4.879	10	40	HJCB	
CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)C1=O	409020529	QFJSRQRYKJPLLN-DZUMZMOTSA-N	411.527	4.887	10	40	HJCB	
CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)SC1=S	2954504	QEFQPYIOIFLJLI-ZHZULCJRSA-N	408.548	4.941	10	40	HJCB	
CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nnc(-c2ccccc2)o1	9715229	QALXLKMNVSJTDA-UHFFFAOYSA-N	420.494	4.684	10	40	HJCB	
CCCOC(=O)c1cc(N/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)ccc1Cl	95471461	GKVLVANGFKXYLD-CPNJWEJPSA-N	411.889	4.934	10	40	HJCB	
CC1=CN2C(=N)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C(=O)N=C2S1	9292396	QVJRLTBZYUINTN-CLFJUMGRSA-N	414.284	4.876	10	40	HJCB	
Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1cccc(Cl)c1Cl	9293643	RFTPECHIHZUHDK-YZDZUVNUSA-N	418.309	4.650	10	40	HJCB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)c(C)c1	13644901	TZNUTCBPLHZILA-UNOMPAQXSA-N	421.547	4.687	10	40	HJCB	
Cc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2Cc2ccccc2)cc1	44086332	QKSZGCDVGDHHOI-UHFFFAOYSA-N	418.522	4.934	10	40	HJCB	
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1cccc(C)c1	100525265	YQWIAXFDNXYKDS-KGNHYALCSA-N	420.454	4.902	10	40	HJCB	
CN(C)c1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1Br	408635156	XJRLCCQCXGZDRM-YBEGLDIGSA-N	419.300	4.874	10	40	HJCB	
COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C	409011754	HLSXDFCKYUEIGH-BKUYFWCQSA-N	406.526	4.792	10	40	HJCB	
O=C1/C(=C/c2ccc(Br)cc2)SC(=S)N1CCOc1ccccc1	9188352	VCLHGNHFQZTQQM-VBKFSLOCSA-N	420.353	4.729	10	40	HJCB	
CC[C@@H](C)N1C(=O)/C(=C/c2ccc(OC(=O)c3ccco3)c(OC)c2)SC1=S	26841400	RAOMPTYOWJXAAI-ZSAINHDTSA-N	417.508	4.507	10	40	HJCB	
O=C(O)Cn1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c2ccccc21	409124819	KUFQXBJTBTWCJV-WQRHYEAKSA-N	414.552	4.507	10	40	HJCB	
COc1ccccc1N1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S	409340532	YSKCYCWTEIVVJZ-DHDCSXOGSA-N	406.872	4.663	10	40	HJCB	
Cc1ccccc1N1C(=O)C(=Cc2ccc(O)cc2)C(=O)N(c2ccccc2C)C1=O	1091137	IYABQNLFCPTRAG-UHFFFAOYSA-N	412.445	4.592	10	40	HJCB	
CC(C)CC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)N=C2S1	27549465	JELUWDOLZSTMTO-YNUQAMOLSA-N	418.522	4.931	10	40	HJCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)c1	222620758	IQXRNQKYNDXZHK-USCONSEESA-N	403.555	4.782	10	40	HJCB	
Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)c(C)c1	882763	HYLZAYCXBAVYAN-UHFFFAOYSA-N	406.467	4.739	10	40	HJCB	
COc1cccc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)c1OC	13784999	NFKVJTJHHAOUEF-PGMHBOJBSA-N	422.550	4.629	10	40	HJCB	
COc1ccc(N2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1	36753147	IELOPBSCEQHMRT-VGSWGCGISA-N	407.539	4.539	10	40	HJCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCc2ccccc2)cc1	112286988	PGBPIKKBWBRHJM-QJOMJCCJSA-N	415.468	4.649	10	40	HJCB	
COc1ccc(OC)c(NC(=O)c2c(NCc3cccnc3)sc3c2CCCC3)c1	920888	AYQVLVMFNQNDSH-UHFFFAOYSA-N	423.538	4.904	10	40	HJCB	
Cc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)c2C)cc1	3659117	NPJHJQGJYSWRPO-XKZIYDEJSA-N	403.457	4.635	10	40	HJCB	
O=C1N=C(Nc2ccc(O)cc2)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	35646660	WXASMOFORDXXMZ-WQRHYEAKSA-N	407.407	4.643	10	40	HJCB	
COc1ccccc1C1=N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1c1cccc(C)c1	408842857	LIMDYNBRCPYLET-DEDYPNTBSA-N	412.445	4.567	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3cc(Cl)c(OC)c(OC)c3)SC2=S)cc1	409349852	WHIKOCYZBSKOTC-MHWRWJLKSA-N	421.927	4.772	10	40	HJCB	
O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(Br)cc1	3140901	NPUDOPZBRYLMGW-ZROIWOOFSA-N	421.297	4.763	10	40	HJCB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2Sc2ccccc2)C1=O	6479471	FZLYISOXUHQWCP-CYVLTUHYSA-N	414.486	4.813	10	40	HJCB	
CCN1c2cc(C)c(/C=c3\sc4nc5ccccc5n4c3=O)cc2[C@H](C)CC1(C)C	208316990	DCJQLCBIGDTGFJ-NXUSMQHESA-N	417.578	4.877	10	40	HJCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C	222882878	GRGKACBDNWXZPM-YADHBBJMSA-N	405.571	4.575	10	40	HJCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)c(Br)cc1O	996141	BOBAHBJNVYMPSC-CXUHLZMHSA-N	415.287	4.668	10	40	HJCB	
COc1cccc(/C=C2\SC(Nc3ccc(Br)cc3)=NC2=O)c1OC	2394818	VCJCVOABTHULPD-GDNBJRDFSA-N	419.300	4.549	10	40	HJCB	
COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-]	409345661	JYHAAETVOTWOKI-DHDCSXOGSA-N	406.872	4.663	10	40	HJCB	
O=C1N=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)S/C1=C/c1cccs1	9089763	WFTGLCQYTRMHSE-FOWTUZBSSA-N	423.485	4.559	10	40	HJCB	
O=C1/C(=C/c2ccccc2Br)SC(=S)N1CCOc1ccccc1	9188764	BARQWIFZBYDMEA-VBKFSLOCSA-N	420.353	4.729	10	40	HJCB	
CCCCN1CCc2cc(/C=C3\C(=O)N(c4ccc(C)cc4)C(=O)N=C3O)ccc21	33364151	CVQWOSXAYHXDIN-HKWRFOASSA-N	403.482	4.664	10	40	HJCB	
Oc1cccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C2CCCC2)c1	95480197	QCFINRQXJWWRGK-UHFFFAOYSA-N	417.421	4.935	10	40	HJCB	
CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\c1c(C)nn(-c2cccc(Cl)c2)c1O	97402262	QEDDISJIXNSGJM-NDENLUEZSA-N	420.900	4.963	10	40	HJCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c(Cl)c1	409160282	FVLDMIBNENSFNV-WIXUPIFPSA-N	414.939	4.751	10	40	HJCB	
CCc1ccccc1N1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S	5371969	XGLQFHMPYHIMLZ-PDGQHHTCSA-N	415.536	4.681	10	40	HJCB	
CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(N(C)C)cc2)c1C	222788318	ITFDTHLFYOBFNH-DHIUTWEWSA-N	419.598	4.548	10	40	HJCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(-c4ccccc4)[nH]c4ccccc34)C2=O)c1	9109468	SLXDNOTYQDXJOY-RCCKNPSSSA-N	421.456	4.810	10	40	HJCB	
CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S	10232919	HHQBOTMFWFHPJF-ADFUCPMPSA-N	419.499	4.786	10	40	HJCB	
Oc1ccccc1C1=NN(c2nc(-c3ccc(F)cc3)cs2)[C@@](O)(C(F)(F)F)C1	16949280	JDXHZPHCCGFKOT-SFHVURJKSA-N	423.391	4.520	10	40	HJCB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1c(C)nn(-c2cccc(C)c2)c1O	95276488	PMBBFTGZCZSYSN-NDENLUEZSA-N	406.873	4.654	10	40	HJCB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1nc2ccc([N+](=O)[O-])cc2s1	101124941	FEZAIWOKIKQSSL-NTEUORMPSA-N	413.846	4.576	10	40	HJCB	
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N(CC)CC)cc3OC)N21	222688262	BOBGOBLAKBPYCO-KNXBSLHKSA-N	410.587	4.916	10	40	HJCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C4CCCCC4)c3C)C2=O)cc1C	408851738	FPZLHTZYOMWRTB-HYARGMPZSA-N	419.525	4.893	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2cccc(C(=O)O)c2C)c1C	408902647	PENPMMJNHPHJPA-HYARGMPZSA-N	413.477	4.907	10	40	HJCB	
CC(=O)N1N=C2/C(=C/c3ccc(N(C)C)cc3)CCC[C@H]2[C@@H]1c1ccc(N(C)C)cc1	4663721	FNGUDYDAOXIEBE-BOSJPIGCSA-N	416.569	4.962	10	40	HJCB	
CCOc1ccc(/C=C2/SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1OC	35039414	IFXWGBBQABCELI-YBFXNURJSA-N	413.520	4.702	10	40	HJCB	
CCCCCC1=NN2C(=N)/C(=C/c3ccc(Br)cc3)C(=O)N=C2S1	41083135	KSTYONUJJIBTFB-DDRPPYOZSA-N	405.321	4.649	10	40	HJCB	
O=C(O)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccccc3)C2=O)cc1	408763442	FDCWVGQLEINLJV-XSFVSMFZSA-N	402.837	4.873	10	40	HJCB	
O=S(=O)(Nc1cc(Cl)c(O)c2ccccc12)c1ccc(Br)cc1	1212666	PERAWXIKWPTRLN-UHFFFAOYSA-N	412.692	4.762	10	40	HJCB	
CCCCN1C(=O)/C(=C\C=C2/Sc3cc(C)c(C)cc3N2CCO)SC1=S	4797760	GKKDJNPMYGLKSB-ROFDZPKHSA-N	420.625	4.594	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1Cl	9232358	WGMQNUASFZYLDJ-OVCLIPMQSA-N	406.872	4.663	10	40	HJCB	
COc1cc2c(cc1NCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)oc1ccccc12	11619251	UVDPSNRIIGUUBB-UHFFFAOYSA-N	421.409	4.562	10	40	HJCB	
CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c(C)c1	225417832	OVKZOBWQZVNGFJ-UHFFFAOYSA-N	411.571	4.649	10	40	HJCB	
Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1	408881523	MQZVRCXBAKLFBT-XQNSMLJCSA-N	424.500	4.869	10	40	HJCB	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1c2ccccc2cc2ccccc12	2277461	OQCVRBFBFQSRRI-XSFVSMFZSA-N	410.404	4.799	10	40	HJCB	
Cc1ccc(COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Cl)cc1	33784653	RGNNAVIRJLVZRW-MOSHPQCFSA-N	418.880	4.689	10	40	HJCB	
COc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(F)cc2)cc1	408764713	NAEMFTRKPFZYCP-XQNSMLJCSA-N	415.468	4.735	10	40	HJCB	
CCN(CC)CCC[C@@H](C)N[C@@H]1CCCc2cc3c(cc21)C(=O)c1ccccc1C3=O	5663709	RUZWRDWWSUENLH-IQGLISFBSA-N	418.581	4.940	10	40	HJCB	
CC(C)C1=NN2C(=N)/C(=C/c3cccn3-c3ccc4ccccc4c3)C(=O)N=C2S1	13281064	KTPWUBIWBCYZFP-RYEIUNSYSA-N	413.506	4.906	10	40	HJCB	
CSc1cccc(N2C(=O)/C(=C\c3ccc(OC(C)=O)cc3)SC2=S)c1	409329074	COYWXCMALYMZRL-LICLKQGHSA-N	401.534	4.740	10	40	HJCB	
O=C1N=C(O)N(c2ccccc2)C(=O)/C1=C/c1c(-c2ccccc2)[nH]c2ccccc12	2359040	QIWDJKHFOOVEES-HMMYKYKNSA-N	407.429	4.706	10	40	HJCB	
COc1cc(OC)c(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1Cl	7000527	TVNSXPZXDDCBNG-UHFFFAOYSA-N	407.853	4.744	10	40	HJCB	
Cc1cccc(C(=O)N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)c1	32141343	ZYIURNZSIFSWIS-XNTDXEJSSA-N	418.337	4.799	10	40	HJCB	
CC(=O)Nc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1	54498910	XHKQYIBDDHXERP-PXNMLYILSA-N	406.891	4.843	10	40	HJCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)cc(Br)c3O)N21	222674321	GESRDXAFRDZOQC-CSMYWGQOSA-N	418.360	4.838	10	40	HJCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1	222899482	ZQGGSRYQCZATOW-YADHBBJMSA-N	406.555	4.572	10	40	HJCB	
C[C@@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)cc1	225838631	ZNLJNLWYBNNZMS-CQSZACIVSA-N	409.477	4.590	10	40	HJCB	
Cc1ccc(C)n1-c1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1	257278871	OEAMPNGUPFUCCT-UHFFFAOYSA-N	423.321	4.520	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccccc2)cc1	408751595	AFTSDYNDTUNZQO-CJLVFECKSA-N	412.445	4.618	10	40	HJCB	
O=C1/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])SC(=S)N1c1ccccc1	409333432	SJXXLZMGQZXLIN-CPNJWEJPSA-N	421.503	4.850	10	40	HJCB	
CCCCN1CCc2cc(/C=C3\C(=O)N(c4cc(C)cc(C)c4)C(=O)N=C3O)ccc21	33351830	FNCXHHHJYBTYJW-QNGOZBTKSA-N	417.509	4.973	10	40	HJCB	
COc1ccc(N2CCN(C(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1	40099135	QUAVTNGUEPCHPZ-UHFFFAOYSA-N	403.482	4.842	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccccc3)C2=O)c(OC)c1	255981795	JSPPBWSLAXOBGH-RCCKNPSSSA-N	414.461	4.547	10	40	HJCB	
O=C(O)c1ccc(N2C(=O)/C(=C\c3cccc(C(F)(F)F)c3)SC2=S)cc1	7006948	GCWZSLKEHMBPPV-NTEUORMPSA-N	409.410	4.809	10	40	HJCB	
COc1ccc(/C=C2/SC(Nc3ccc(Br)cc3)=NC2=O)c(OC)c1	16692844	VXEBKSDCEVYMLX-CXUHLZMHSA-N	419.300	4.549	10	40	HJCB	
Nc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(N)cc3)c(-c3ccccc3)c2)cc1	20530318	FCDDMQNYZNMOIL-UHFFFAOYSA-N	424.456	4.956	10	40	HJCB	
COc1ccc(N2N=C(C)/C(=C\c3c(C)nn(-c4ccc(C)cc4)c3C)C2=O)cc1	408756863	KCLYPTDVWXMBRK-OEAKJJBVSA-N	400.482	4.612	10	40	HJCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)o1	4838101	KMTQYMRMRPBEES-UYRXBGFRSA-N	403.394	4.670	10	40	HJCB	
Cc1oc2ccc(O)c(CN3CCC[C@H](C)C3)c2c1C(=O)OCCOc1ccccc1	5182585	QFIQTLSFSRSEMM-KRWDZBQOSA-N	423.509	4.915	10	40	HJCB	
COc1ccc(NC2=NC(=O)/C(=C/c3cccc(Br)c3)S2)c(OC)c1	8964451	YDOGSFXAHBKDRF-SXGWCWSVSA-N	419.300	4.549	10	40	HJCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1cccc(Br)c1	9233641	IGONHEQNZOQPRC-VIZOYTHASA-N	420.309	4.584	10	40	HJCB	
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)c1	33918700	YLLGLRCVMSFSQO-CPNJWEJPSA-N	421.547	4.769	10	40	HJCB	
O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S	40567409	BFYPFLVPKAUKKP-ATVHPVEESA-N	419.499	4.932	10	40	HJCB	
COC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc12	83318701	IRAADECYJCIWMC-HMAPJEAMSA-N	413.473	4.727	10	40	HJCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c1C	222621133	RLBWTCVAASVFEX-ORYQWCPZSA-N	403.555	4.782	10	40	HJCB	
CC(=O)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21	239296723	DDEKIEWNLHPDSL-PDLBJYQGSA-N	412.489	5.692	10	40	HJCB	
Cc1ccc(C)n1-c1cc(Cl)ccc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1	2037849998	FQUDLZGQMZZUJD-UHFFFAOYSA-N	422.960	4.752	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C\c3ccccc3OCc3ccccc3F)C(=O)N=C2S1	9435934	HBUZOPJTSSJJBS-XYSCVJGBSA-N	422.485	4.824	10	40	HJCB	
CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)S1	32110001	JLQJWWPECBRTPY-RQZCQDPDSA-N	421.305	4.679	10	40	HJCB	
CC(C)CN1C(=O)/C(=C/c2cc(Br)cc(Cl)c2O)SC1=S	409035514	JEAXZMNOBHLBHH-WCIBSUBMSA-N	406.754	4.665	10	40	HJCB	
Cc1cccc(COc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1	409399861	OBZBLBIQYGBBCA-STZFKDTASA-N	418.880	4.689	10	40	HJCB	
CC[C@H](C)c1ccc(OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	7080159	YFFZQGDHUTVSDS-INIZCTEOSA-N	413.473	4.993	10	40	HJCB	
CCCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(OCC)cc3)C(=O)N=C2S1	13280967	RGVWJBYVUDXWMZ-QVRVXCEOSA-N	421.526	4.685	10	40	HJCB	
Cc1cccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccc(F)cc2)c1	408765415	PLRLEWRWEDFQTO-UDWIEESQSA-N	400.409	4.697	10	40	HJCB	
Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)ccc1N1CCOCC1	409131822	YFKHSLAMHIBARF-OQKWZONESA-N	422.550	4.501	10	40	HJCB	
O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1C(=O)c1ccccc1Br	670416564	PCESOOPLEOPASD-NTEUORMPSA-N	422.300	4.630	10	40	HJCB	
CCOc1cc(/C=C2\SC(Nc3ccc(Br)cc3)=NC2=O)ccc1O	2194188	JWLYONQBLQOCFE-YBEGLDIGSA-N	419.300	4.636	10	40	HJCB	
CC1=C(c2ccc(C)cc2)N=C2N=NNN2[C@@H]1c1ccc(N2CCCC2)c([N+](=O)[O-])c1	5930048	YSWNSXCPMYGOOC-NRFANRHFSA-N	417.473	4.533	10	40	HJCB	
COc1cc(/C=C2\SC(Nc3cccc(Cl)c3C)=NC2=O)ccc1OCC#N	6200632	UUGJDUGEXHFRJB-WQRHYEAKSA-N	413.886	4.642	10	40	HJCB	
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21	20704111	CVAFPBDCYCBMGV-FTLABTOESA-N	401.806	4.992	10	40	HJCB	
CNC(=O)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1Cc1ccccc1	44086378	BEJJSOITBJPDMB-UHFFFAOYSA-N	406.338	4.743	10	40	HJCB	
COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O	60512514	DBWVPBYOJCDZMO-IUXPMGMMSA-N	421.927	4.772	10	40	HJCB	
COc1ccc(Cl)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C	409038497	PFOKRNOPMBHEBR-POHAHGRESA-N	416.733	4.850	10	40	HJCB	
Cc1ccc(Cn2c(C)c(/C=C3/C(=O)NN(c4ccccc4)C3=O)c3ccccc32)cc1	409399652	LJLNFRFSJFIDOV-JLPGSUDCSA-N	421.500	4.768	10	40	HJCB	
COc1ccc(-c2c(C)c3ccc(O)c(CN4CCC[C@H](C)C4)c3oc2=O)cc1OC	4353851	IHWFOAYDZVFPCD-HNNXBMFYSA-N	423.509	4.723	10	40	HJCB	biogenic
COc1cc(N2CCCC2)c(OC)cc1/C=C1\SC(=O)N(c2ccccc2)C1=O	4687996	MWMUUVZGNLCRIP-MOSHPQCFSA-N	410.495	4.545	10	40	HJCB	
C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12	9419193	SEJJZBUZAGEDGM-CYBMUJFWSA-N	408.885	4.848	10	40	HJCB	
Cc1ccc(S[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1	11400380	WGEPCMISDDPCBH-HNNXBMFYSA-N	401.487	4.890	10	40	HJCB	
CC(C)(C)c1cc(O)c(O)c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1	12636294	XRNLMSSXRXMBGG-UHFFFAOYSA-N	408.464	4.736	10	40	HJCB	
Cc1ccc2c(N)c(C(=O)OCC(=O)c3ccc4c(c3)Cc3ccccc3-4)sc2n1	13575283	GICFXGWGWJQNOZ-UHFFFAOYSA-N	414.486	4.798	10	40	HJCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(O)=NC2=S)c1C	59138128	DROLLTQUVHANEW-GHRIWEEISA-N	409.511	4.558	10	40	HJCB	
COC(=O)c1ccc(/C=C2\SC(Nc3ccc(Cl)cc3Cl)=NC2=O)cc1	5660584	SEXZJKPDNHALCZ-NVNXTCNLSA-N	407.278	4.862	10	40	HJCB	
O=C(NN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S)c1ccccc1	9310462	QLQIOUKQBSDQMU-LDADJPATSA-N	424.478	4.632	10	40	HJCB	
COC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1	17088862	OCDDMUPPXMYINU-XLNRJJMWSA-N	411.461	4.610	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(SCc4ccco4)o3)C(=O)N=C2S1	41083419	JKRNYSMGLKKINP-NXHHHXCLSA-N	400.485	4.584	10	40	HJCB	
CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)CC1	219203981	GWNKDJOGTOUAIJ-LJQANCHMSA-N	405.542	4.541	10	40	HJCB	
CC(C)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccco2)SC1=S	1091477	QMWFBVMTWYZQGE-WQRHYEAKSA-N	409.536	4.990	10	40	HJCB	
CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1c(F)cccc1Cl	14415099	NDUKYOCMJKUINP-JXAWBTAJSA-N	413.876	4.785	10	40	HJCB	
O=C1NN(c2ccc(Cl)c(F)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1	32099672	CQQLKPSUJXPKIW-GDNBJRDFSA-N	417.223	4.854	10	40	HJCB	
CC1CCN(c2ccc([C@@H](C)NC(=S)Nc3ccc(C(=O)N(C)C)cc3)cc2)CC1	225657228	GGODFHQTHUSJGV-GOSISDBHSA-N	424.614	4.672	10	40	HJCB	
COc1cc([C@@H]2Nc3c(Cl)cc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC	408837624	KCAOQHUBCAUDIS-TYILLQQXSA-N	415.873	4.891	10	40	HJCB	
O=C1/C(=C\c2ccc(O)c(Br)c2)C(c2ccccc2)=NN1c1ccccc1	409093120	XTZRHBNLVNZZDS-AQTBWJFISA-N	419.278	4.989	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)ccc1OC(F)F	409354795	AIUIEBBEVPVSFG-OQLLNIDSSA-N	411.426	4.842	10	40	HJCB	
Cc1sc(NS(=O)(=O)c2ccc(Br)cc2)nc1-c1ccccc1	668158	ABMBOFBRWQCZPY-UHFFFAOYSA-N	409.330	4.682	10	40	HJCB	
CC(C)(C)c1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(C(C)(C)C)c1O	2475318	NVLZBSOHGHZMCQ-UHFFFAOYSA-N	406.504	4.696	10	40	HJCB	
O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc2ccccc2c1	5376074	MKJQUVBPRKFERS-QGOAFFKASA-N	408.504	4.663	10	40	HJCB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)o1	8430295	STKYVYSRLXHKKI-WOJGMQOQSA-N	422.824	4.704	10	40	HJCB	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)O)N2)c1ccc(Cl)cc1Cl	11859517	FXXMVOQVYPYDOI-VFVRVIDISA-N	403.265	4.784	10	40	HJCB	
COc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1	35646648	JAHRYUUYRSONKA-UNOMPAQXSA-N	421.434	4.946	10	40	HJCB	
CCOc1ccc(/C=C2\C(=O)N(c3cc(C)cc(C)c3)C(C)=C2C(=O)OC)cc1OC	408585421	DFYHBEBUQYPVQY-MOSHPQCFSA-N	421.493	4.588	10	40	HJCB	
O=C1/C(=C/c2cc(Br)ccc2O)SC(=S)N1Cc1ccccc1	1508488	BGNGRPCCSCVZDM-DHDCSXOGSA-N	406.326	4.556	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C/c3cn(CC)c4ccccc34)C(O)=NC2=S)cc1	9089793	IAIGXHSPRIPTCO-CPNJWEJPSA-N	419.506	4.732	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4)o3)C(=O)NC2=S)cc1Cl	9263226	YYELPRIVNMLCRM-ATVHPVEESA-N	422.893	4.740	10	40	HJCB	
O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	13777092	VOSAIEATLVGFJO-YBEGLDIGSA-N	409.294	4.556	10	40	HJCB	
COc1cc([N+](=O)[O-])c(Cl)cc1N/C=C1\C(=O)N(c2cccc(Cl)c2)N=C1C	100087721	WWBOCZNMHVYQBA-LCYFTJDESA-N	421.240	4.629	10	40	HJCB	
COc1ccc(Cl)cc1NCN1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O	2120222	DVSWMXLQAZBUSS-VCHYOVAHSA-N	417.918	4.521	10	40	HJCB	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2cccnc2)SC1=S	5372324	WSSSRIBCZXBPSW-VKAVYKQESA-N	406.573	4.878	10	40	HJCB	
CCCCN(C)Cc1c(O)ccc2c(C)c(-c3ccc(OC)cc3OC)c(=O)oc12	6623709	IPLPSVXDDFDWOE-UHFFFAOYSA-N	411.498	4.723	10	40	HJCB	biogenic
CCN(CC)c1ccc(CN(C(=O)COc2ccc(F)cc2)c2ccccn2)cc1	28291150	UOTXSEXTMGULCM-UHFFFAOYSA-N	407.489	4.679	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccccc1OC	59435729	PGSQVBXPJIYIJC-GDNBJRDFSA-N	418.276	4.879	10	40	HJCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C	222966485	UAPMDUOAHPRUHK-DHIUTWEWSA-N	420.582	4.967	10	40	HJCB	
CC[C@@H]1CCCCN1C(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S	5370862	KKQFPMUQILRWOI-TVJZJRHOSA-N	414.596	4.625	10	40	HJCB	
CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)cc1	27546767	TVIFKZNDSYWSFX-FJRYHWHXSA-N	409.559	4.732	10	40	HJCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccccc1O	222921352	MZCGQNNEJPVSIJ-PKTZIBPZSA-N	420.582	4.823	10	40	HJCB	
CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1	223308252	UDMMDEMKMKFMBQ-UHFFFAOYSA-N	413.993	4.715	10	40	HJCB	
O=C(NN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S)c1ccccc1	5066014	CTOOQMZCHJVPCY-ZROIWOOFSA-N	409.319	4.540	10	40	HJCB	
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(O)c1	8820488	QXNJZVWOCAIZPX-LWZSUBOQSA-N	424.547	4.569	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1c(F)cccc1Cl	409383219	SPFZAPVUJMXYMA-BOPFTXTBSA-N	413.832	4.559	10	40	HJCB	
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S	5371916	ZRNRPCTXMNDZJT-BPLGCGBFSA-N	404.340	4.838	10	40	HJCB	
Cc1cc(C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)c(C)n1-c1ccccc1	6329809	YRMSODBNAXABKW-UHFFFAOYSA-N	416.399	4.908	10	40	HJCB	
COc1cccc2ccc(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)nc12	13732189	HZUPSGHVGQQUJP-XMHGGMMESA-N	406.532	4.687	10	40	HJCB	
COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1	223138707	HSZQPIIBJOJZIJ-MRXNPFEDSA-N	422.978	4.624	10	40	HJCB	
O=C(O)COc1ccccc1/C=C1\SC(=S)N(c2cccc3ccccc23)C1=O	409329191	DTILUKFFVMHSAR-UNOMPAQXSA-N	421.499	4.709	10	40	HJCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(F)c(Cl)c1	1252305	NGWFNWMAIWQRHQ-YBEGLDIGSA-N	420.918	4.709	10	40	HJCB	
COc1ccc2nc(NC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)sc2c1	1775893	GJMAFGKFFNHRAO-UHFFFAOYSA-N	416.458	4.623	10	40	HJCB	
Cc1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N(C)C2=O)cc1	26675935	PHBGXPXXEUEUBW-PDGQHHTCSA-N	419.955	4.937	10	40	HJCB	
CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1	33374725	WNLHCFZZRREAGS-HZWMVPBHSA-N	415.881	4.526	10	40	HJCB	
O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)N1CCc2ccccc21	44086149	RXABZBMRYYJUDL-UHFFFAOYSA-N	415.518	4.873	10	40	HJCB	
O=C1N=C(O)/C(=C\c2ccc(Cl)cc2)C(=O)N1c1cccc(Br)c1	59198306	RHSPUIJLNNSYBL-RIYZIHGNSA-N	405.635	4.609	10	40	HJCB	
CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1	219564869	AZHXSXMNRYBSOY-DENIHFKCSA-N	410.558	4.966	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)C1	260466351	RFNZLCJXMVFQAW-GJZGRUSLSA-N	401.894	4.976	10	40	HJCB	
COC(=O)c1ccc(C)c(NC(=O)CNc2cc3oc4ccccc4c3cc2OC)c1	11619330	QLPZSGVKLXVKHF-UHFFFAOYSA-N	418.449	4.740	10	40	HJCB	
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccccc1F	40005895	PGUYGNLFTTWWLK-WOJGMQOQSA-N	403.500	4.634	10	40	HJCB	
O=C1CCCN1Cc1ccc(CN[C@@H](CCc2ccccc2)c2ccccc2O)cc1	97164431	LKOYXTHEUNQLEQ-VWLOTQADSA-N	414.549	4.978	10	40	HJCB	
O=C1N=C(S)N(CCC2=CCCCC2)C(=O)/C1=C\Nc1cccc(C(F)(F)F)c1	103115617	FWMPVEKTBLLRSL-VBKFSLOCSA-N	423.460	4.546	10	40	HJCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C	222954421	RNACXGDXKSUPEG-FGZHOGPDSA-N	405.571	4.657	10	40	HJCB	
COc1ccc(N2N=C(C)/C(=C/c3c(C)nn(-c4ccc(C)c(C)c4)c3C)C2=O)cc1	408756635	ISHMLDMTRFVPDY-OYKKKHCWSA-N	414.509	4.921	10	40	HJCB	
CCc1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)cc1	585145930	BDMDRWYTVLQDMG-INIZCTEOSA-N	407.436	4.796	10	40	HJCB	
CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3c(OC)ccc4ccccc34)C2=O)cc1	59859654	WWOGCJARTIMTPT-ZHZULCJRSA-N	416.433	4.754	10	40	HJCB	
C[C@H](NCc1cccc(NC(=O)C2CCC2)c1)c1cc(Br)ccc1O	95469445	PEFZSHDMSPPCNO-ZDUSSCGKSA-N	403.320	4.744	10	40	HJCB	
Cn1c(=O)c(C2=Nc3ccccc3N[C@@H](c3ccccc3O)C2)c(O)c2ccccc21	104827589	OZDZDKSFNANSLU-LJQANCHMSA-N	411.461	4.627	10	40	HJCB	
COc1cccc2c(C=C3C(=O)OC4(CCCC4)OC3=O)c(-c3ccccc3)[nH]c12	408768448	JFONKPUULKHBLW-UHFFFAOYSA-N	403.434	4.597	10	40	HJCB	
Cc1cc(C)c(NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)c(C)c1	1264712	YFEMSMFVTJCGEU-DHDCSXOGSA-N	402.566	4.513	10	40	HJCB	
Cc1ccc2c(C)c(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)oc2c1	15831776	UOLFFVUOTJEDHY-OAQYLSRUSA-N	406.526	4.937	10	40	HJCB	
CCOc1cc(/C=C2/C(=O)N(c3ccc([C@@H](C)CC)cc3)C(=O)N=C2O)ccc1O	38160671	HHBWYUJXLBEUPU-QCUKBLKESA-N	408.454	4.811	10	40	HJCB	
CCOc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)ccc1OCc1ccccc1	4501818	HKFMGTAXURGABF-UHFFFAOYSA-N	422.477	4.808	10	40	HJCB	
Cc1ccc2nc(C)cc(OCC(=O)NCc3ccc(N4CCCCC4)cc3)c2c1	141564329	KINNVZTUITXTQQ-UHFFFAOYSA-N	403.526	4.537	10	40	HJCB	
CCOc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1OC(C)=O	409339858	LUAHIRSMYSTFOG-UNOMPAQXSA-N	413.520	4.725	10	40	HJCB	
O=C(Nc1ccc(Cl)c(Cl)c1)NN1C(=O)/C(=C\c2ccccc2)SC1=S	409367533	DMFNPAMUWSWNBU-RIYZIHGNSA-N	424.334	4.931	10	40	HJCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)SC2=S)cc1	9188758	DLYALNKMRQULPT-DHDCSXOGSA-N	423.346	4.848	10	40	HJCB	
O=C1C(=CNc2ccccc2Cl)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	1857868	AJUIHJMGMCVAMK-UHFFFAOYSA-N	417.852	4.836	10	40	HJCB	
Cc1c(S(=O)(=O)O)ccc(/N=N\c2c(O)c(C(=O)O)cc3ccccc23)c1Cl	12671134	RBQONMJTZICEIN-MRCUWXFGSA-N	420.830	4.868	10	40	HJCB	in-vitro
CN(C)c1ccc([C@@H](CNC(=O)C2CCCCC2)N2CCc3ccccc3C2)cc1	16914019	BSMXCZKGEJGUMT-RUZDIDTESA-N	405.586	4.549	10	40	HJCB	
c1ccc2c3c(cc(N4CCOCC4)c2c1)O[C@@]1(N2CCCCC2)CCCC[C@@H]1O3	20528597	NYEAMANZCHMFME-ZCYQVOJMSA-N	408.542	4.572	10	40	HJCB	
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3OC)N21	222677322	JGJQYFASUVSPRI-WQTXXOFMSA-N	408.571	4.670	10	40	HJCB	
COc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(CCCc2ccccc2)C1=O	409141370	IKDJXXCCXWWYQB-CJLVFECKSA-N	422.550	4.965	10	40	HJCB	
CN(C)c1ccc([C@H](CNC(=O)C2CCCCC2)N2CCc3ccccc3C2)cc1	16914022	BSMXCZKGEJGUMT-VWLOTQADSA-N	405.586	4.549	10	40	HJCB	
C[C@H]1CCC[C@H](C)N1Cc1c(O)ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc12	20358373	RSYYLZFWVUFPHU-HOTGVXAUSA-N	421.493	4.700	10	40	HJCB	biogenic
Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)n1	44086157	MWGMGYLBPRCCGI-UHFFFAOYSA-N	410.524	4.687	10	40	HJCB	
Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccc1C(C)C	197606644	YWXVIYXTAKTGIA-UCQKPKSFSA-N	413.546	4.988	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1	408791323	WAABEOLYECKTCX-HZHRSRAPSA-N	412.445	4.770	10	40	HJCB	
CCCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)SC1=S	1150479	GFSSUSKZGPDLFD-AQTBWJFISA-N	413.520	4.526	10	40	HJCB	
CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccc(F)cc2)SC1=S	1180641	SKZDHVUCEWTKOF-YVLHZVERSA-N	418.471	4.534	10	40	HJCB	
COc1ccccc1C1=N/C(=C/c2ccco2)C(=O)N1c1cccc(Br)c1	408846678	YHRUSGHJLCMKCV-QGOAFFKASA-N	423.266	4.885	10	40	HJCB	
CCc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	1265331	WGAJXHZWHSXYPP-LGMDPLHJSA-N	416.593	4.931	10	40	HJCB	
CCOc1cc(/C=C2\SC(Nc3cccc(Br)c3)=NC2=O)ccc1O	1452248	YGYRBWQGYJBUKO-SXGWCWSVSA-N	419.300	4.636	10	40	HJCB	
CN1C(=O)C(=C/C=C/c2c3oc4ccccc4cc-3c3ccccc23)C(=O)N(C)C1=O	5783251	HUHOOQCYPBOGFA-YRNVUSSQSA-N	410.429	4.681	10	40	HJCB	
CN1CCCc2cc([C@@H](CNC(=O)c3cccc(Cl)c3)N3CCCCC3)ccc21	9137781	SHOWQSRDMDAMQY-HSZRJFAPSA-N	411.977	4.679	10	40	HJCB	
COc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc(N4CCCCCC4)cc3)C2=O)c1	9244844	SDRKANAWVYASOQ-QNGOZBTKSA-N	419.481	4.582	10	40	HJCB	
COc1ccc(/C=C2/SC(=S)N(c3cc(C)ccc3C)C2=O)c(OC)c1OC	35040688	TZKIQARAVDLCOP-GZTJUZNOSA-N	415.536	4.735	10	40	HJCB	
Cc1ccc(C(=O)NN2C(=O)/C(=C\c3cccc(Cl)c3)SC2=S)c(Cl)c1	409147396	XJPWVRZSXHZSOO-OQLLNIDSSA-N	423.346	4.848	10	40	HJCB	
O=C(O)c1ccc(-n2cccc2/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	4739433	PPGITVMYOIYPMS-AQTBWJFISA-N	406.488	4.581	10	40	HJCB	
COc1ccc(OC)c(N/C(C)=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c1	17089562	BAENJGPEILCXOS-QJOMJCCJSA-N	413.477	4.841	10	40	HJCB	
Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)cc2)c2ccccc2C1=O	39486720	KJAMWLURDAHHBS-HKOYGPOVSA-N	424.500	4.559	10	40	HJCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccc(OC)cc1	100423209	YBSQMKCFBYXVLK-QNGOZBTKSA-N	420.538	4.871	10	40	HJCB	
C[C@@H]1CCCCN1c1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cn1	223952585	DWGLCGDHQGVELR-GOSISDBHSA-N	409.603	4.547	10	40	HJCB	
Cc1ccc(-n2c(SCC(=O)c3ccc(O)c(O)c3)nnc2-c2ccccc2)cc1	1271905	RHMQJXYEHGEKMH-UHFFFAOYSA-N	417.490	4.629	10	40	HJCB	
COc1cc(Br)cc(/C=C2\SC(Nc3cccc(C)c3)=NC2=O)c1O	24973056	SLBSRLNABASREY-NVNXTCNLSA-N	419.300	4.554	10	40	HJCB	
Cc1cc(C(=O)[C@@H](C)OC(=O)Cc2coc3cc(O)ccc23)c(C)n1-c1ccccc1	32708169	OQXBUOHPGGMEMT-QGZVFWFLSA-N	417.461	4.903	10	40	HJCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccc(F)cc2)N1c1ccc(F)cc1	408766079	OMAMMPCDQUSVFI-YBFXNURJSA-N	404.372	4.528	10	40	HJCB	
COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O	96594468	SHNGTHPBTVGWIO-VXLYETTFSA-N	415.536	4.735	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccc(OC)cc3)N(c3ccc(OC)cc3)C2=O)cc1	408762564	DUTCQOBPSNHQSK-XQNSMLJCSA-N	414.461	4.547	10	40	HJCB	
COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O	9188679	AKFYAKPVUOSWAC-LPXFMOJISA-N	415.536	4.675	10	40	HJCB	
Cc1cc(C(=O)[C@H](C)OC(=O)Cc2coc3cc(O)ccc23)c(C)n1-c1ccccc1	32708171	OQXBUOHPGGMEMT-KRWDZBQOSA-N	417.461	4.903	10	40	HJCB	
Cc1cccc(OCCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)c1C	33390863	BMZBFXIFHAIPEY-ZHZULCJRSA-N	413.564	4.982	10	40	HJCB	
COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(OC)c1	225668219	KVDHBTAFDZSPHK-IAGOWNOFSA-N	413.587	4.988	10	40	HJCB	
Cc1ccc(Nc2c3c(c4oc(=O)oc4c2Cl)C(=O)c2ccccc2C3=O)cc1	35325567	MGCXEOSWRAJTEN-UHFFFAOYSA-N	405.793	4.867	10	40	HJCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1	222637380	GOEZXFDTPMHMQQ-SSKFGXFMSA-N	404.539	4.779	10	40	HJCB	
CCc1cccc(C)c1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C	222747571	DPFZOHIWACKVTF-GGAORHGYSA-N	404.583	4.962	10	40	HJCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2Cl)N1c1ccc(O)cc1	408752069	FTGBXNFVNZIFIS-YBFXNURJSA-N	418.836	4.609	10	40	HJCB	
CCCCN1CCc2cc(/C=C3/C(=O)N(c4ccc(C)cc4)C(=S)N=C3O)ccc21	2375368	HKDURSBMIKYMPE-HMMYKYKNSA-N	419.550	4.829	10	40	HJCB	
CCN1c2cc(C)c(/C=c3\sc4nc5ccccc5n4c3=O)cc2C(C)=CC1(C)C	208520351	IOSBYCFGRRAAGQ-XKZIYDEJSA-N	415.562	4.787	10	40	HJCB	
CCCOc1ccc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc1OCC	409207472	UNVSEXBQCHNBAN-UYRXBGFRSA-N	416.568	4.830	10	40	HJCB	
O=C(O)c1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1	33305834	JKPDJPWIEDDMBN-ZSOIEALJSA-N	420.309	4.553	10	40	HJCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3OC)N21	222677379	JGJQYFASUVSPRI-NPFVIJTESA-N	408.571	4.670	10	40	HJCB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccccc3Cl)C2=O)cc1	1179838	WWRMMISHRXZRKN-SFQUDFHCSA-N	416.955	4.878	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OC(F)F	12562465	KAKPXPFWLMGYNV-GDNBJRDFSA-N	407.214	4.857	10	40	HJCB	
COc1ccc(CN[C@H](Cc2cccs2)c2nc(C)cs2)cc1Cn1cccn1	19240079	WHERAZDIVUKKMM-HXUWFJFHSA-N	424.595	4.840	10	40	HJCB	
O=C(O)CCc1ccc(-c2ccccc2)n1-c1ccc(I)cc1	408945891	LTQYDAVTVMBXOC-UHFFFAOYSA-N	417.246	4.766	10	40	HJCB	
Cc1ccc(-c2ccc(C=C3C(=O)OC4(CCCC4)OC3=O)o2)c(Br)c1	2194899	QKHHYPSSOQICSL-UHFFFAOYSA-N	417.255	4.771	10	40	HJCB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C)cc3C)C2=O)cc1	2248325	PGXJRIDCIFKDHU-CPNJWEJPSA-N	410.564	4.842	10	40	HJCB	
CCOc1ccccc1N1C[C@](O)(c2ccc(Cl)cc2Cl)[N+]2=C1SCCC2	2684170	VIQJNGSSTZJZBJ-FQEVSTJZSA-N	424.373	4.563	10	40	HJCB	
O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc3c(cc1Br)OCO3)N2	4959448	ZTCFLIAQZSENEG-HNYWDRBLSA-N	414.255	4.703	10	40	HJCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=O)N=C2O)c(C)n1-c1cccc(F)c1	9016088	JUUTZWNPLVBEQM-UDWIEESQSA-N	403.413	4.740	10	40	HJCB	
Cc1[nH]c2ccccc2c1/C=C1\C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O	13809797	BSWHVXJPEOAUBZ-YBEGLDIGSA-N	424.254	4.746	10	40	HJCB	
Cc1cc2nc3s/c(=C\c4cc(C)n(-c5cccc(F)c5)c4C)c(=O)n3c2cc1C	409392843	NXINQMUFULEDGT-JJFYIABZSA-N	417.509	4.620	10	40	HJCB	
C[C@H]1CCCN(c2ccc(CNC(=O)Cc3cccc(Br)c3)cc2)C1	225621871	GMZFOGGUOIOEJP-INIZCTEOSA-N	401.348	4.544	10	40	HJCB	
O=C(O)c1ccccc1[C@@H]1Nc2ccc(I)cc2[C@H]2C=CC[C@H]21	409165027	RESDWLSAMPAKRK-VEVIJQCQSA-N	417.246	4.816	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1OC(F)F	409355045	BEVMMDGTLRBFJJ-YBEGLDIGSA-N	423.462	4.711	10	40	HJCB	
O=C(Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N2)c1ccc(Cl)cc1Cl	4331715	PREIJVXDCSNASS-FHSNZYRGSA-N	404.249	4.751	10	40	HJCB	
COc1cc([C@H]2CC(c3ccc(O)cc3)=NN2C(C)=O)ccc1OCc1ccccc1	4539060	CYXBJDMGVOACIB-HSZRJFAPSA-N	416.477	4.677	10	40	HJCB	
COc1ccc(-c2cnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2C)cc1	9572304	KIEYELGDDMLKJJ-UHFFFAOYSA-N	421.444	4.845	10	40	HJCB	
CCCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)N=C2S1	41082892	DSBOPFHBXJMEOT-DXGGMCDASA-N	411.918	4.940	10	40	HJCB	
CC1(C)C[C@@H]2C[C@](C)(CN2Cc2c(O)ccc3cc(-c4ccccn4)c(=O)oc23)C1	100724186	XAUXRNPLUMFIHE-NSYGIPOTSA-N	404.510	4.961	10	40	HJCB	
CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cc1Cl	225425178	AGCKWRGCUGFAME-UHFFFAOYSA-N	417.962	4.604	10	40	HJCB	
C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc4c(c3)OCCO4)cc2)C1	225669407	ICOMZXZUWOESNX-IAGOWNOFSA-N	411.571	4.742	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4OC)c3C)C(=O)N=C2S1	5489315	PMDVQFUFCDGRGM-PSZZWWBBSA-N	421.526	4.522	10	40	HJCB	
Cc1nccn1Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1	44854098	YBQRZZCVLVKPIX-FQEVSTJZSA-N	416.569	4.967	10	40	HJCB	
CCN1/C(=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)C=Cc2cc(C)ccc21	102593755	SXBSYYNZJGGACN-VHEBQXMUSA-N	422.531	4.823	10	40	HJCB	
CCCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC	206207865	RIXXECVUAVGRJQ-CPNJWEJPSA-N	415.536	4.898	10	40	HJCB	
CCCC1(CCC)NC(=O)N(CC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O	3314976	CZIRADKEWUTMEC-UHFFFAOYSA-N	423.557	4.784	10	40	HJCB	
CC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1c1ccccc1O	9781680	HOWHUSSKTKGAME-XMMPIXPASA-N	422.488	4.943	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1cccc2ccccc12	409387677	PJWWXONOIZCIIF-HAHDFKILSA-N	411.457	4.920	10	40	HJCB	
Cc1cc(C(=O)CSc2ncnc3ccccc23)c(C)n1-c1ccc2c(c1)OCO2	3490757	ISMPENLYVCGQGH-UHFFFAOYSA-N	417.490	4.741	10	40	HJCB	
COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)c1cc(C)n(-c2ccccc2)c1C	6654044	DNPDZRRIAZKLKW-MRXNPFEDSA-N	405.498	4.744	10	40	HJCB	
Oc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)cc1	10215419	ZXVUDMVDHUMYDO-TZIWHRDSSA-N	422.282	4.792	10	40	HJCB	
COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccccc2O)cc1	19325911	URUMPYLMYJXDQR-UHFFFAOYSA-N	418.537	4.816	10	40	HJCB	
CC[C@H](C)c1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=CSC4=NC3=O)c2C)cc1	41076643	XNFGHBGXIYZELD-YFHRMWFWSA-N	405.527	4.857	10	40	HJCB	
CC(=O)Nc1ccc(F)c(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)c1	95465451	WRVBECVLSOZSCL-INIZCTEOSA-N	406.457	4.893	10	40	HJCB	
Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccccc3)C1=O)[C@H](C)CC(C)(C)N2C	208228595	NUSNMRQOSFBWGR-OJSPLJLUSA-N	403.526	4.810	10	40	HJCB	
COc1ccc(-n2c(C)ccc2[C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1	222637246	GOEZXFDTPMHMQQ-USCONSEESA-N	404.539	4.779	10	40	HJCB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1c(C)nn(-c2ccccc2)c1C	408758025	UOMIIYXARAUZBA-DEDYPNTBSA-N	405.889	4.861	10	40	HJCB	
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O	409181641	DMGZMUPHQGFOBA-VIZOYTHASA-N	424.862	4.802	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Cl)c1OCc1ccc(F)cc1	1198056	GPNCFBXVJUMNTK-SXGWCWSVSA-N	423.918	4.898	10	40	HJCB	
O=C(NN1C(=O)/C(=C\c2cccs2)SC1=S)c1ccc(Cl)cc1Cl	2258339	OXELQTBYJNOMOP-KPKJPENVSA-N	415.348	4.601	10	40	HJCB	
O=[N+]([O-])c1ccc(O)c(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)c1	19325027	LYJQWKKEMHCPTI-UHFFFAOYSA-N	403.482	4.707	10	40	HJCB	
Cc1c(/C=C2/NC(=O)N(C)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl	409191044	ZCTDYAMMAYDOCS-VCHYOVAHSA-N	414.292	4.827	10	40	HJCB	
CCOC(=O)c1sc2nc(/C=C/c3ccc(N4CCCCC4)cc3)[nH]c(=O)c2c1C	6657613	KSIFVTJPARNZTK-FMIVXFBMSA-N	423.538	4.630	10	40	HJCB	
COc1ccc(-c2coc3c4c(ccc3c2=O)OCN(c2ccc(OC)cc2)C4)cc1	9422913	FICURZHIWBYILF-UHFFFAOYSA-N	415.445	4.834	10	40	HJCB	biogenic
CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C	222875720	NOTFGAUTJZBZRG-YADHBBJMSA-N	406.555	4.577	10	40	HJCB	
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCCC4)c23)cc1Cl	5182475	MQZITLCBAPTNOO-UHFFFAOYSA-N	414.889	4.957	10	40	HJCB	
N=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N=C2SC(C3CCCCC3)=NN12	8721905	AMBGBMZYKCQXSO-FYWBKXHBSA-N	423.325	4.898	10	40	HJCB	
O=C1/C(=C\c2cnc3ccccc3n2)SC(=S)N1c1ccc(F)c(Cl)c1	13731852	UARVWUJQLKGYSG-FRKPEAEDSA-N	401.875	4.828	10	40	HJCB	
CCN1CCN(C2=NC(=O)/C(=C/c3c4ccccc4cc4ccccc34)S2)CC1	19799251	IBXURTGTVRRWEA-JWGURIENSA-N	401.535	4.601	10	40	HJCB	
CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(CC)SC4=NC3=O)c2C)cc1	34697592	PNFXCLWQNNRJQQ-PBOWYIGHSA-N	421.526	4.522	10	40	HJCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(SC4CCCCC4)o3)C2=O)cc1	41077939	CLCNRFKMSYWXRP-QGOAFFKASA-N	410.495	4.679	10	40	HJCB	
CCOC(=O)c1c(NC(=O)[C@]23CC[C@@](C)(C(=O)C2)C3(C)C)sc2c1CCCC2	100834598	HFTWIGHJFGNVIX-VXKWHMMOSA-N	403.544	4.528	10	40	HJCB	
CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c(C)c1	225696008	IOJAAWGJQWWGPQ-QGZVFWFLSA-N	411.571	4.820	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(SC)cc3)C(C(=O)OC)=C2C)cc1	631817	SCYWBRVAWMGNSM-ZHZULCJRSA-N	409.507	4.684	10	40	HJCB	
O=C(O)CCCCCN1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S	2933886	HMTBWHFPCMOWNX-UKTHLTGXSA-N	404.340	4.840	10	40	HJCB	
CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)C(=O)N=C2S1	8450661	POTKTMSHXRZLDW-WZBMNHFVSA-N	423.567	4.651	10	40	HJCB	
CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)cc1Cl	27826850	VIGWOLLMICYCQK-JYRVWZFOSA-N	405.237	4.899	10	40	HJCB	
O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1c1cccc([N+](=O)[O-])c1	409335734	ZDCHFYIOOMKFOL-PDGQHHTCSA-N	411.508	4.601	10	40	HJCB	
COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1	2767884	UWNVJMBISPGMOI-UHFFFAOYSA-N	402.541	4.917	10	40	HJCB	
COc1ccc(CCN2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1OC	8821552	MQDYIGZMBAEQCQ-NDENLUEZSA-N	424.547	4.629	10	40	HJCB	
Cc1cccnc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C	222837823	NGHKLLBLRWFRID-RTWAWAEBSA-N	405.571	4.573	10	40	HJCB	
Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(-n4c(C)ccc4C)cc3)CC2=O)cc1C	408707854	MFATXCJZZWUHDH-FQEVSTJZSA-N	401.510	4.703	10	40	HJCB	
CCCN1C(=O)/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)SC1=S	409376960	CSZCVJIXFANMTG-UUILKARUSA-N	400.308	4.711	10	40	HJCB	
CC(C)(C)c1ccc(OCCOc2cccc(/C=C3\SC(=S)NC3=O)c2)cc1	4599830	OQMZOYPZNIBHPO-RGEXLXHISA-N	413.564	4.931	10	40	HJCB	
O=C(c1ccncc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1O	9465437	MSZXBQPIAUHVDL-LJQANCHMSA-N	422.282	4.541	10	40	HJCB	
CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCSc1ccc(Cl)cc1	103916393	OKNDRSIEGDXYMS-UYRXBGFRSA-N	403.910	4.858	10	40	HJCB	
COc1ccccc1C1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(C)cc1	408846160	XRDWEJDOASEDRB-RCCKNPSSSA-N	413.433	4.746	10	40	HJCB	
O=C(O)COc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc1	409350125	XMVLPAGFYFKAJL-UNOMPAQXSA-N	421.499	4.709	10	40	HJCB	
O=C1N=C(O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1ccc(F)cc1	8737884	WMOQBRXGASKQIG-BOPFTXTBSA-N	421.340	4.501	10	40	HJCB	
Oc1ccccc1[C@@H](CCc1ccccc1)NCc1cccc(CN2CCOCC2)c1	97101310	IFLVBXMFTAGEEU-AREMUKBSSA-N	416.565	4.688	10	40	HJCB	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2F)N1c1ccc(F)cc1	408841739	KLESEENSZKSMBR-CPNJWEJPSA-N	405.360	4.708	10	40	HJCB	
O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(C(=O)O)cc1	2503291	BYKFWFQZVRCQSQ-UHFFFAOYSA-N	414.255	4.622	10	40	HJCB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C)c3)C2=O)cc1	13801589	MIIWAKIRYMXNDF-RGEXLXHISA-N	410.564	4.924	10	40	HJCB	
CCOc1cc(/C=C2\SC(Nc3nc4ccc(C)cc4s3)=NC2=O)ccc1O	36633832	FODKIEVOUFQNEK-YVLHZVERSA-N	411.508	4.791	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccc(C)cc2)cc1	408753664	KFSIIXQNLUCNLP-JJIBRWJFSA-N	411.505	4.904	10	40	HJCB	
O=C(Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N2)c1ccc(Cl)cc1Cl	4331718	PREIJVXDCSNASS-SNUQEOBHSA-N	404.249	4.751	10	40	HJCB	
Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2c(Cl)cccc2Cl)C1=O	409218634	WPJIWIOFXBKQPR-XYOKQWHBSA-N	409.656	4.622	10	40	HJCB	
CC/C(=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCCCC1	1199649	KKOPVQHZENCQRV-SQFISAMPSA-N	408.449	4.711	10	40	HJCB	
CCc1cc(CN2CCC(C(=O)NCc3ccccc3)CC2)c(O)c(C(C)(C)C)c1	39996935	BRLREKPCKCFAJW-UHFFFAOYSA-N	408.586	4.781	10	40	HJCB	
Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3cc(Cl)cc(Cl)c3O)C2=O)c1	83308386	UXVDTNSMJKQVNX-VGOFMYFVSA-N	405.237	4.823	10	40	HJCB	
COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1C	260798410	SRSLOWNXTGSDIN-QFBILLFUSA-N	416.587	4.588	10	40	HJCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccccc1Cl	409074038	JQFWWOHUZZIQIC-UDWIEESQSA-N	423.875	4.980	10	40	HJCB	
Cc1cc(C(=O)OCC(=O)N(c2ccccc2)C(C)C)c(C)n1-c1ccc(F)cc1	3421930	FYXXZKWVPSAEMK-UHFFFAOYSA-N	408.473	4.832	10	40	HJCB	
COc1ccc(NC(=O)c2c(C)oc3ccc(O)c(CN4CCC[C@@H](C)C4)c23)cc1	5182578	XRHVQJPPJUQOQO-OAHLLOKOSA-N	408.498	4.940	10	40	HJCB	
CCOc1ccc(CNC2(c3ccc(OC)cc3)CCCC2)cc1Cn1ccnc1	12147579	KAFZAQRITUYGJS-UHFFFAOYSA-N	405.542	4.898	10	40	HJCB	
COc1ccc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)c(OC)c1	12650849	LCCUHYDXIFTRPC-IUXPMGMMSA-N	421.927	4.772	10	40	HJCB	
CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1nccs1	24941493	AUQGKRXDHIWQNM-UHFFFAOYSA-N	423.361	4.520	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2Br)cc1	59229929	TWWLXHPXUMWTDL-CPNJWEJPSA-N	423.266	4.885	10	40	HJCB	
Cc1cc(CN[C@@H](C[S@@](C)=O)c2ccccc2)c(C)n1-c1ccc(F)c(F)c1F	96003641	NRPQGFVILKDEBD-SLQAJWMNSA-N	420.500	4.721	10	40	HJCB	
Cc1cc(C(=O)COC(=O)c2ccccc2F)c(C)n1-c1ccc(OC(F)F)cc1	3285978	OVWQVLDKLCHSKU-UHFFFAOYSA-N	417.383	4.874	10	40	HJCB	
CN(C)c1ccc(/C=C2/SC(Nc3ccc(Br)cc3)=NC2=O)cc1	6871466	PJWVXCGRQHXSDT-LFIBNONCSA-N	402.317	4.598	10	40	HJCB	
Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc(F)c1	14009823	AFNVHAMMPZUKQX-KEBDBYFISA-N	409.848	4.984	10	40	HJCB	
N=C1/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)N=C2SC(C3CCCCC3)=NN12	41076350	UPTOWOMKXJJUDI-DHKQOHTGSA-N	421.501	4.816	10	40	HJCB	
CC1CCN(c2ccc([C@H](C)NC(=O)c3ccc(CN4CCCC4=O)cc3)cc2)CC1	219231239	GCAHVZJCUKWZIK-FQEVSTJZSA-N	419.569	4.536	10	40	HJCB	
CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(-n4c(C)ccc4C)cc3)CC2=O)cc1	408709194	YLJALSYEOKUEPP-FQEVSTJZSA-N	401.510	4.648	10	40	HJCB	
COc1ccccc1C1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1c1ccc(O)cc1	408843176	QRZXKCPIIIPSAD-XSFVSMFZSA-N	404.853	4.889	10	40	HJCB	
Cc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccc(F)c1	3652814	AFNVHAMMPZUKQX-JMIUGGIZSA-N	409.848	4.984	10	40	HJCB	
COc1ccc(C2=NN(C(=O)Nc3ccccc3)[C@@H](c3ccccc3O)C2)c(OC)c1	4589345	LEEPYPSEVXHUAV-OAQYLSRUSA-N	417.465	4.793	10	40	HJCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)cc3OC)SC2=S)cc1	9188793	RYOKTUSKMNDFAN-ODLFYWEKSA-N	415.536	4.681	10	40	HJCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C4CCCCC4)c3C)C2=O)c1	408739809	FVUJTCTWJZWTJQ-KGENOOAVSA-N	405.498	4.585	10	40	HJCB	
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)/C1=C/Nc1c(C)nn(C)c1C	408755918	GIWPVKVDFXZFKU-KPKJPENVSA-N	412.708	4.716	10	40	HJCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)ccc1O	3768933	WWMNMQKIKRGXKC-RQZCQDPDSA-N	421.927	4.859	10	40	HJCB	
O=C(c1ccco1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1O	4292046	XKJPDTRBRSOALK-QGZVFWFLSA-N	411.255	4.739	10	40	HJCB	
CCc1ccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)NC2=O)cc1	12463520	AYHLTEQPONECSG-PDGQHHTCSA-N	419.955	4.849	10	40	HJCB	
Cn1c(-c2ccccc2)cnc1SCc1csc(-c2ccc(C(N)=O)cc2)n1	52890142	KLTBHOKKEWTISB-UHFFFAOYSA-N	406.536	4.602	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(C)c1	408585844	JHMSGZORCFEBCB-PDGQHHTCSA-N	412.283	4.635	10	40	HJCB	
Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(-n4c(C)ccc4C)cc3)CC2=O)c1C	408708881	VAHDPJDIOIPTQK-FQEVSTJZSA-N	401.510	4.703	10	40	HJCB	
O=C(Cc1csc2[n+]1C(=O)/C(=C/c1ccc(Cl)cc1)S2)Nc1ccccc1	1636867	JSDLDGCJKBHXFO-YVLHZVERSA-O	413.931	4.657	10	40	HJCB	
Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)c1	7379316	IPPGTYFPZNCZOP-UHFFFAOYSA-N	416.399	4.908	10	40	HJCB	
CC1=NN2C(=N)/C(=C\c3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)N=C2S1	32109359	ONOIEVBQTPOBHW-PPHIJBTASA-N	413.506	4.637	10	40	HJCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1	222988388	GRZMJXVVOOOQPW-XZOQPEGZSA-N	420.582	4.962	10	40	HJCB	
Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1	2173938	WZFTWZSRWBWYHR-MTJSOVHGSA-N	421.884	4.507	10	40	HJCB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccccc1F	9290644	KSUPDPXPWQJSTR-FNSVQNJISA-N	423.517	4.899	10	40	HJCB	
COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)c1ccccc1	20721208	GINWYBHHIQNEFB-UHFFFAOYSA-N	412.493	4.708	10	40	HJCB	
CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)N=C2S1	80346779	LHZDDKHEGURZJX-JEGSZOCCSA-N	411.918	4.777	10	40	HJCB	
COc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3cc(Cl)ccc3O)C[C@@H]21	169681519	VPLWSDJGHSBFKG-PGRDOPGGSA-N	407.857	4.692	10	40	HJCB	
COc1cc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)ccc1O	245093444	RNSMZTZHSGGJRT-AVRDEDQJSA-N	407.857	4.692	10	40	HJCB	
COc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(SCc4ccco4)o3)C2=O)cc1	41108856	USCIJJVDAMRVAC-BOPFTXTBSA-N	424.434	4.680	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1	59515961	XFVAPTDOUQKJQB-AQTBWJFISA-N	412.283	4.716	10	40	HJCB	
O=C1O[C@@H](C(=O)N[C@@H](c2ccccc2)c2c(O)ccc3ccccc23)Cc2ccccc21	69368175	KUOWFFQKPHECQZ-NOZRDPDXSA-N	423.468	4.533	10	40	HJCB	
O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2F)N1c1ccc(F)cc1	408765337	LDLQAQQWGSAQJU-DEDYPNTBSA-N	405.360	4.708	10	40	HJCB	
O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cl)s1	408966737	NUICCCAWMHMBOA-RMKNXTFCSA-N	417.726	4.540	10	40	HJCB	
COc1ccc(OC)c(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)c1	9188917	PPOCBFSMJXPAEB-JWGURIENSA-N	422.550	4.629	10	40	HJCB	
Cc1cc(-c2csc(NC(=O)c3ccco3)n2)c(C)n1-c1ccc2c(c1)OCO2	10948673	WCHRXDZLPOPLLF-UHFFFAOYSA-N	407.451	4.792	10	40	HJCB	
CN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccc(Cl)cc2)SC1=S	1179758	OTPQRRPWFUHGSZ-SXGWCWSVSA-N	420.899	4.658	10	40	HJCB	
Cc1cc(C(=O)COC(=O)c2cc(O)c3ccccc3c2O)c(C)n1-c1ccccc1	4399993	BJRVCBWDJFGRAN-UHFFFAOYSA-N	415.445	4.698	10	40	HJCB	
Cc1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)c(Br)c1	4824947	QGRZADCQLAMJAC-UHFFFAOYSA-N	408.251	4.982	10	40	HJCB	
Cc1cccc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)c1	5098675	VIYZDJJNZQRART-SANMLTNESA-N	413.565	4.524	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)N=C2S1	41083405	ANNVZDAGUNFKTC-AHSZANDNSA-N	423.454	4.582	10	40	HJCB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(OCC)cc1	103918962	YSBOEFWKMXFPKG-QNGOZBTKSA-N	408.458	4.882	10	40	HJCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C4CCCCC4)c3C)C2=O)cc1	408741743	RUWLSXVUVOHZHF-KGENOOAVSA-N	405.498	4.585	10	40	HJCB	
COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)c1	408901845	HUWJQRWXPXXZLM-HZHRSRAPSA-N	413.477	4.687	10	40	HJCB	
O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	409207534	WEYAFIBLIOMJGK-GDNBJRDFSA-N	419.264	4.658	10	40	HJCB	
Cc1cc(C(=O)COC(=O)Cc2coc3cc(O)ccc23)c(C)n1-c1ccccc1	4507887	VYSHEDLDSDWQFY-UHFFFAOYSA-N	403.434	4.515	10	40	HJCB	
COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21	6952906	CVAFPBDCYCBMGV-VNBZBWLYSA-N	401.806	4.992	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)ccc1OCCC(C)C	13809876	OZWRTFDRKSCRTD-BKAYVGFPSA-N	421.584	4.500	10	40	HJCB	
COC(=O)c1ccccc1Nc1c(-c2ccc(O)c(O)c2)nc2ccc(Cl)cn12	35606462	GOSNMELCWRRPLB-UHFFFAOYSA-N	409.829	4.596	10	40	HJCB	
O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(F)c(F)c1F	58701178	QHKVIFKLDZUTIF-UHFFFAOYSA-N	404.822	4.682	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3cccc(N4CCCC4=O)c3)cc2)C1	260578064	VHZXJRPVJOVVBN-RBUKOAKNSA-N	405.542	4.541	10	40	HJCB	
Cc1cccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)c1	6199870	FWZYCJRTOYNFFN-SFQUDFHCSA-N	416.955	4.878	10	40	HJCB	
O=c1c2cc(Cl)ccc2nc2n1CC/C2=C/c1cnn(Cc2ccccc2Cl)c1	8924904	QKLMPJXJMHLPTH-DHDCSXOGSA-N	423.303	4.892	10	40	HJCB	
CCCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1	27549203	DGUHTWHJFSSXIE-YEZNUIPASA-N	405.527	4.904	10	40	HJCB	
Cc1ccc(N2C(=O)N=C(O)/C(=C/Nc3cccc(C(F)(F)F)c3)C2=O)cc1C	103127196	DDXFCARYIKJPNK-YBEGLDIGSA-N	403.360	4.741	10	40	HJCB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc21	208461971	LYOAPKBXMLKEIN-BKUYFWCQSA-N	401.510	4.720	10	40	HJCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccccc1O	409019684	VXCKBIQYNNEUOD-APSNUPSMSA-N	404.249	4.576	10	40	HJCB	
CCOc1cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc(Br)c1O	15016745	ULQISRFUZCJJGB-YBEGLDIGSA-N	418.312	4.923	10	40	HJCB	
Cc1cc(C)c(NC(=O)CNC(=O)c2cc(C)n(-c3ccccc3F)c2C)c(C)c1	25043017	MNCSGUNUKXFNGL-UHFFFAOYSA-N	407.489	4.527	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1cccc(Cl)c1	409023524	GLJHRCSMEAKNKE-YBEGLDIGSA-N	418.276	4.879	10	40	HJCB	
CN(C)c1ccc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)cc1	5142595	GPIALSZEDCALBP-QVRVXCEOSA-N	409.559	4.732	10	40	HJCB	
O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	12629691	IGZCTVYPKXWHHG-MHWRWJLKSA-N	409.294	4.556	10	40	HJCB	
CCN(CC)c1ccc(/C=C2\SC(=O)N(CNc3ccccc3OC)C2=O)cc1	33908971	JXCDWDUKJBIHEU-ZHZULCJRSA-N	411.527	4.647	10	40	HJCB	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1ccccc1C(=O)O	100510868	DYPBIUHXUHTZST-IUBFCHALSA-N	419.466	4.692	10	40	HJCB	
CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1	225241328	CLLYMGNHSVAZCZ-UHFFFAOYSA-N	413.993	4.715	10	40	HJCB	
Cc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(F)cc2)cc1	408762613	FHJCURWHXRIVEI-KGENOOAVSA-N	401.397	4.877	10	40	HJCB	
CC[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S	8326508	IOHJNMCQCITKFZ-AQRXXJNJSA-N	416.612	4.768	10	40	HJCB	
CCCOc1ccccc1/C=C1\SC(N2CCN(c3ccccc3C)CC2)=NC1=O	12563169	DSFWJINCEGPIPM-XLNRJJMWSA-N	421.566	4.576	10	40	HJCB	
CCCCN(CCO)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1	254743603	JLQINWDDQUELHA-UHFFFAOYSA-N	401.423	4.826	10	40	HJCB	
Cc1cc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c(C)n1-c1ccccc1	3268907	BQXSICHDJRSUIL-UHFFFAOYSA-N	418.280	4.591	10	40	HJCB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(N(C)C)cc2)n2c(nc3ccccc32)N1	4735561	CAMNTGABBZHGPM-QFIPXVFZSA-N	404.514	4.735	10	40	HJCB	
O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	17162469	OJAZDPCUXIACET-ZHZULCJRSA-N	423.494	4.630	10	40	HJCB	
COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)Nc2cccc(C)n2)cc1	103921417	OIDUETHTDXQIRC-JWGURIENSA-N	416.456	4.675	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(F)cc3)C2=O)cc1	408843163	QQPLASWCQUCIMC-RCCKNPSSSA-N	402.425	4.677	10	40	HJCB	
CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2c2ccccc2)SC1=S	4891394	DJXQCUSGDSBRGE-VLGSPTGOSA-N	400.550	4.988	10	40	HJCB	
O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccc(F)c1	17089393	FTCIUYSDVCHQJW-UHFFFAOYSA-N	412.873	4.837	10	40	HJCB	
CCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1OC	59396788	SZQKYJDBFYXOCN-UYRXBGFRSA-N	415.536	4.898	10	40	HJCB	
COc1cc(/C=C2\SC(N3CCCC3)=NC2=O)ccc1OCc1ccc(C)cc1	6476484	HYKMFTFEDGYTPR-STZFKDTASA-N	408.523	4.649	10	40	HJCB	
Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccccc2)no1	44086274	OGGFZLSVKWRRCH-UHFFFAOYSA-N	404.495	4.626	10	40	HJCB	
O=C(O)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccc(O)cc3)C2=O)cc1	408756102	XOMCEGGHLIFTMH-DEDYPNTBSA-N	418.836	4.578	10	40	HJCB	
COc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(C(C)C)cc4)S3)CC2)cc1	9188208	MGAHKLMQBKUZSG-JWGURIENSA-N	421.566	4.611	10	40	HJCB	
O=C1N=C(O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1c1ccc(F)cc1	2213349	WMOQBRXGASKQIG-GZTJUZNOSA-N	421.340	4.501	10	40	HJCB	
O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)c1	5174101	LYXOEGSDTZRGIQ-CPNJWEJPSA-N	412.401	4.764	10	40	HJCB	
COC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)ccc1Cl	225695586	GFUGJJZTUWESMB-AWEZNQCLSA-N	417.962	4.774	10	40	HJCB	
O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)SC(=S)N1Cc1ccco1	409128641	SUUUTZGMSYHWPH-UUASQNMZSA-N	419.325	4.925	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)ccc1OC(C)=O	409332431	RLIYVNCANRRXRT-ODLFYWEKSA-N	413.520	4.643	10	40	HJCB	
COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2ccc(C)cc2C)C1=O	409335769	ZJOOEEONCDUYQO-YVLHZVERSA-N	400.481	4.626	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1	5977588	GUQLKCOTJVBHIB-ZHZULCJRSA-N	414.417	4.625	10	40	HJCB	
O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1	13786718	QPAVRIRANIEAKR-GDNBJRDFSA-N	409.294	4.556	10	40	HJCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)cc(Br)c3O)N21	222674211	GESRDXAFRDZOQC-OAUYIBNBSA-N	418.360	4.838	10	40	HJCB	
O=C(CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)N1CCCC1	5376059	AHRXIIMFZVUFCQ-VKAVYKQESA-N	423.003	4.724	10	40	HJCB	
O=C1N=C(Nc2ccc(O)cc2)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1	35646537	KUFKYDZGTNIKOK-WQRHYEAKSA-N	407.407	4.643	10	40	HJCB	
CCOc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(O)cc3)C2=O)cc1	408765539	LYKHIQJYLGPCPB-PXLXIMEGSA-N	402.425	4.765	10	40	HJCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F	408943981	SYJGQXJEFRRGRR-RCCKNPSSSA-N	414.436	4.847	10	40	HJCB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C	409056545	HAKLQUXLCNYPHV-MOSHPQCFSA-N	424.516	4.952	10	40	HJCB	
CCOc1ccc(Cl)cc1/C=C1\SC(Nc2ccc(C(=O)OC)cc2)=NC1=O	1015011	ZEKYNHXQFRNEAG-BOPFTXTBSA-N	416.886	4.608	10	40	HJCB	
CCc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3OC)SC2=S)cc1	6574124	YBENPVUYMYHZHM-SFQUDFHCSA-N	415.536	4.681	10	40	HJCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N=C2O)cc(C)c1O	38165662	CSAPDMPGFMBXCD-NTUHNPAUSA-N	421.305	4.987	10	40	HJCB	
O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc3ccccc23)cc1	113834992	QBCYYJMBRMWNFN-KOEQRZSOSA-N	420.468	4.880	10	40	HJCB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(Sc3ccccc3)o2)C1=O	408757214	WEUVXUMJXFEXPH-NBVRZTHBSA-N	418.474	4.660	10	40	HJCB	
CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OCC	408947191	ZUMAZNKAWMDUKP-GZTJUZNOSA-N	412.873	4.579	10	40	HJCB	
COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(Cl)cc1C(=O)c1ccccc1	2304270	ZHROJPDGYFSBIG-JOCHJYFZSA-N	423.852	4.869	10	40	HJCB	
CCCn1cc(/C=C2\C(=O)N=C(O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21	5100963	QAHDDVPWOIDADT-DEDYPNTBSA-N	401.466	4.539	10	40	HJCB	
CCOc1cccc([C@@H]2NC(=O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)c1O	17085959	WWBZNMJMFAHFPJ-CWTRNNRKSA-N	400.544	4.858	10	40	HJCB	
CCN1C(=O)/C(=C2\C=Cc3cc(OC)ccc3N2C2CCCCC2)SC1=S	36033869	QTKOYGQMZMNPQU-HNENSFHCSA-N	400.569	4.953	10	40	HJCB	
COc1ccc(N2N=C(C)/C(=C(\C)Nc3cccc(OC(F)(F)F)c3)C2=O)cc1	112125934	LHRWABCHGKNPPD-PDGQHHTCSA-N	405.376	4.702	10	40	HJCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3cccc(C)c3)C2=O)cc1	408756516	SOBPCPRZIQOYMO-PXLXIMEGSA-N	414.436	4.755	10	40	HJCB	
COc1cccc(C(=O)CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)c1	32883931	BNYNCCSVVXRUAY-HXUWFJFHSA-N	408.523	4.713	10	40	HJCB	
COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1	225670106	FTWQYVICJBICGY-SJORKVTESA-N	411.571	4.757	10	40	HJCB	
CCCc1noc(CSc2ncc(-c3ccc(Br)cc3)n2CC)n1	12602377	MLGVJRMQSYDXQZ-UHFFFAOYSA-N	407.337	4.960	10	40	HJCB	
CC[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl	107966958	OPKCZLGFMXILBR-ZENNRRHLSA-N	405.281	4.632	10	40	HJCB	
CCN(CCCNC(=S)Nc1cc(C(=O)OC)ccc1Cl)c1ccc(C)cc1	225734219	PGWIGJKPOQBLTO-UHFFFAOYSA-N	419.978	4.638	10	40	HJCB	
COc1ccc2[nH]c(-c3ccccc3)c(C=C3C(=O)OC4(CCCC4)OC3=O)c2c1	408768758	KCXOSPZTVPMQOF-UHFFFAOYSA-N	403.434	4.597	10	40	HJCB	
Cc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1Cc1ccccc1	5295554	LJNXYMOPDIRGLS-DGIAZZNKSA-N	419.554	4.819	10	40	HJCB	
CCCOc1ccccc1/C=C1\SC(N2CCN(c3ccc(C)cc3)CC2)=NC1=O	12436663	YCQMICUSWGDFKO-XLNRJJMWSA-N	421.566	4.576	10	40	HJCB	
COc1ccc2ccc(O)c([C@@H](c3ccc(C(F)(F)F)cc3)N3CCOCC3)c2c1	25571503	LTCLAVKNXNCOSS-JOCHJYFZSA-N	417.427	4.994	10	40	HJCB	
CCN1C(=O)C(=Cc2ccc(Sc3ccc(C)cc3)cc2)C(=O)N(CC)C1=S	409229162	KPAOXWSAGHWDIV-UHFFFAOYSA-N	410.564	4.525	10	40	HJCB	
CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1ccccc1[N+](=O)[O-]	100510965	XRDBZTDYKLTNQC-CCWVLBSLSA-N	420.454	4.902	10	40	HJCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)cc21	222726842	FGFZRNQCVRHFNF-WOJBJXKFSA-N	412.990	4.969	10	40	HJCB	
CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)C1=O	409020530	QFJSRQRYKJPLLN-HMHKGCENSA-N	411.527	4.887	10	40	HJCB	
CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCCC2)c1O	4646204	LHGKFYKFKRVSGQ-UHFFFAOYSA-N	406.507	4.934	10	40	HJCB	biogenic
CN(C)c1ccc([C@H](CNC(=O)c2c(F)cccc2F)N2CCc3ccccc32)cc1	5098651	GCVCMVVEHYZNER-QHCPKHFHSA-N	421.491	4.565	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccccc1[N+](=O)[O-]	6307923	BBWCVBNSTQOANZ-RGEXLXHISA-N	414.417	4.625	10	40	HJCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccccc3Br)SC2=S)cc1	9188363	RVYTVUGFZONIBV-WJDWOHSUSA-N	419.369	4.921	10	40	HJCB	
O=S(=O)(Cc1ccc(Cl)cc1Cl)NCc1ccc(N2CCCCC2)cc1	13676417	OGAMYKCPWSKLCM-UHFFFAOYSA-N	413.370	4.603	10	40	HJCB	
Cc1cccc(-n2c(C)cc(C(=O)N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)c2C)c1	40080411	ZUKFSJAPNMCWSC-GOSISDBHSA-N	424.566	4.639	10	40	HJCB	
COc1ccc([C@@H]2Nc3c(C(=O)O)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1	58928777	CDIHZQHETJTXGI-VKJFTORMSA-N	400.272	4.982	10	40	HJCB	
CCN1c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc2[C@@H](C)CC1(C)C	223534968	QJWQDWIDKLXSON-MNAFEPAFSA-N	403.551	4.569	10	40	HJCB	
CCOC(=O)[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(-c4ccccc4)cc3)S2)C1	4816008	JGSVVUXPLBQXHN-YLCCHKQJSA-N	420.534	4.599	10	40	HJCB	
COc1ccc(N/C(C)=C2\C(=O)N(c3ccccc3)N=C2c2ccc(OC)cc2)cc1	17089564	FESPAXGIXLTMCI-QJOMJCCJSA-N	413.477	4.841	10	40	HJCB	
Cc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N=C2O)c(C)n1-c1ccc(F)cc1	33330595	MBOCQNQJKAVSEO-DEDYPNTBSA-N	419.481	4.905	10	40	HJCB	
Cc1cc(N2CCCC2)c(F)cc1/C=C1/C(=O)N(c2ccccc2C)C(=O)N=C1O	33671489	RYVOTFYDAXUTKV-SFQUDFHCSA-N	407.445	4.549	10	40	HJCB	
Oc1ccccc1C1=NN2[C@H](c3ccccn3)Oc3ccc(Br)cc3[C@H]2C1	102907303	UFBLTLQFLXZCOC-NQIIRXRSSA-N	422.282	4.792	10	40	HJCB	
Oc1ccc([C@]23CCCC[C@@H]2C2(CCCCC2)c2ccc(O)c(O)c2O3)c(O)c1O	4601480	CMIFNKWYNSYEJE-HOYKHHGWSA-N	412.482	4.895	10	40	HJCB	
COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1	13713912	GNRVSZNTVSNTHE-PXNMLYILSA-N	409.891	4.902	10	40	HJCB	
CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)NCCC(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1	103020616	UTOVQTGYUDRRIQ-NMMYMHLASA-N	404.510	4.841	10	40	HJCB	
COc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc(C(=O)O)c2)C1=O	3280197	IOVMYYITWFVNTD-UNOMPAQXSA-N	421.499	4.952	10	40	HJCB	
CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4C)c3C)C(=O)N=C2S1	5516568	MUCDTBNAZCHZHZ-JNADWCBDSA-N	411.918	4.695	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N=C2S1	6569724	XGEAQJICQZZQIO-PBOWYIGHSA-N	405.527	4.822	10	40	HJCB	
COc1ccc(NC(=O)NCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1	12528384	DCQCGEZJYPHYMS-UHFFFAOYSA-N	405.498	4.724	10	40	HJCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCCc2ccccc2)cc1	17088919	CDUJYMNSZVLDOE-CLCOLTQESA-N	411.505	4.552	10	40	HJCB	
O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(Oc2ccccc2)cc1	44948372	GIXCOIODDDCPAI-UHFFFAOYSA-N	408.523	4.558	10	40	HJCB	
CC1CCN(c2ccc([C@@H](C)NC(=O)CCc3ccc4c(c3)OCCO4)cc2)CC1	222644727	GQZCYTMVPPCPPB-LJQANCHMSA-N	408.542	4.504	10	40	HJCB	
Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1	408706695	CIVCYEBFTURDDQ-QGZVFWFLSA-N	407.901	4.739	10	40	HJCB	
O=C(O)CCCCCN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)SC1=S	4745879	LRMMXWZENHBDNJ-RAXLEYEMSA-N	403.447	4.552	10	40	HJCB	
CCc1ccc(/C=C2/C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)cc1	5253525	QZGIZEYNSRZIJX-MQIWZSEOSA-N	408.914	4.764	10	40	HJCB	
COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1	225664309	RREHEJJICIKWJN-KRWDZBQOSA-N	411.571	4.820	10	40	HJCB	
COc1ccc2c(c1)c(/C=C1\SC(=S)N(c3cccc(O)c3)C1=O)c(C)n2C	9420332	LZOZRFBPUNXHSQ-ODLFYWEKSA-N	410.520	4.607	10	40	HJCB	
Cc1cc(CN[C@H](C[S@@](C)=O)c2ccccc2)c(C)n1-c1ccc(F)c(F)c1F	96003642	NRPQGFVILKDEBD-XBBWARJSSA-N	420.500	4.721	10	40	HJCB	
COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OC	260732724	ANECCWLFBFIYRB-DLBZAZTESA-N	413.587	4.988	10	40	HJCB	
O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(Cl)cc1	2361951	KAQWQGGFUOJKTR-FOWTUZBSSA-N	402.928	4.570	10	40	HJCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc([C@@H](C)CC)cc3)C(=O)N=C2O)ccc1O	8772102	HHBWYUJXLBEUPU-HIXWQLQUSA-N	408.454	4.811	10	40	HJCB	
COc1ccc(OCCCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1	218741003	XUHJFCWYHNDEQI-FQEVSTJZSA-N	410.558	4.968	10	40	HJCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccccc1Cc1ccccc1Cl	408877567	VUFBVALLJWQPPT-HMMYKYKNSA-N	416.864	4.597	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cccc(Br)c1	657310	CWRVSVJDRGWBGX-PDGQHHTCSA-N	412.283	4.635	10	40	HJCB	
Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1C	5214220	LULZPIBDVFTADR-PDGQHHTCSA-N	414.527	4.673	10	40	HJCB	
CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N=C2S1	33925656	CBURGYGNPRAISE-OXMFYWCOSA-N	423.567	4.651	10	40	HJCB	
COc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1	409244080	XIDBYLLOSJFHHY-FYJGNVAPSA-N	421.884	4.853	10	40	HJCB	
Cc1c(O)c(CN(C)C[C@@H]2CCCN3CCCC[C@H]23)cc2c1oc(=O)c1ccccc12	524730425	IUHFXUKQOWDGLR-FDDCHVKYSA-N	420.553	4.657	10	40	HJCB	biogenic
Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1ccc(Cl)cc1Cl	9235052	GTQGDXLMGWLIQK-URYGWFBQSA-N	418.309	4.650	10	40	HJCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c(C)n1-c1ccc(F)cc1	33351124	CBXOHSKAYOMVEB-UDWIEESQSA-N	421.403	4.879	10	40	HJCB	
O=C1/C(=C/c2ccc(Cl)cc2)C(O)=NC(=S)N1c1ccc(Br)cc1	59198500	DMQHLZBLIWLQNO-NTEUORMPSA-N	421.703	4.774	10	40	HJCB	
COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C	222655992	LITNSXAZDJTJMX-IBGZPJMESA-N	416.587	4.588	10	40	HJCB	
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)cc(Br)c3O)N21	222674378	GESRDXAFRDZOQC-JCURWCKSSA-N	418.360	4.838	10	40	HJCB	
CC1=CC(C)(C)N(C)c2cc(Cl)c([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)cc21	260759182	FGFZRNQCVRHFNF-VQTJNVASSA-N	412.990	4.969	10	40	HJCB	
O=C1/C(=C\c2cccc(Br)c2)SC(=S)N1CNc1ccccc1	408718949	CHEYXTZGELKXRK-XNTDXEJSSA-N	405.342	4.720	10	40	HJCB	
CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1O	409340441	XIOOYXMFMUQYID-MHWRWJLKSA-N	421.927	4.859	10	40	HJCB	
O=C(Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)O)N2)c1ccc(Cl)cc1Cl	1132062	PREIJVXDCSNASS-VEVIJQCQSA-N	404.249	4.751	10	40	HJCB	
CCOc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)c2C)cc1	20037366	JFUCPVVGUUZIBX-FNYLDBEHSA-N	406.511	4.660	10	40	HJCB	
COc1ccc(/C=C2\SC(Nc3ccc(Br)cc3)=NC2=O)c(OC)c1	1244413	VXEBKSDCEVYMLX-SXGWCWSVSA-N	419.300	4.549	10	40	HJCB	
CCCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S	4070664	SZLZGPKOGPPKFL-SDXDJHTJSA-N	421.584	4.800	10	40	HJCB	
COc1ccc2c(C(F)(F)F)cc(SCC(=O)c3ccc(O)c(O)c3)nc2c1	20120570	FJZDRMFBLGNXBR-UHFFFAOYSA-N	409.385	4.648	10	40	HJCB	
O=C1O[C@@H](C(=O)N[C@H](c2ccccc2)c2c(O)ccc3ccccc23)Cc2ccccc21	69368178	KUOWFFQKPHECQZ-ILBGXUMGSA-N	423.468	4.533	10	40	HJCB	
C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)cc1	223865257	VBAMVBHJHFYKHS-UXHICEINSA-N	406.570	4.885	10	40	HJCB	
O=C1C(=Cc2ccc(Cl)s2)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	408968284	XVHWAZARBNPLCD-UHFFFAOYSA-N	408.866	4.985	10	40	HJCB	
CN1C(=O)/C(=C/c2cn(CCCOc3ccccc3)c3ccccc23)SC1=S	409136974	UIGAAWOMZROLNL-ZHZULCJRSA-N	408.548	4.941	10	40	HJCB	
COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	6395083	DVTDJUADWACXNN-KQWNVCNZSA-N	417.505	4.881	10	40	HJCB	
CCCCC1=NN2C(=N)/C(=C/c3cccn3-c3ccc(C)cc3C)C(=O)N=C2S1	13280950	MNHZTLFHXHRFLT-HVZAKDRGSA-N	405.527	4.904	10	40	HJCB	
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1	409246868	KIKYFBFTONDJSG-ZFMLPXDISA-N	422.550	4.819	10	40	HJCB	
CC(C)N1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S	2258141	FHUBYYCIBMGBAV-WQRHYEAKSA-N	414.508	4.783	10	40	HJCB	
Oc1ccccc1CN(Cc1ccco1)C[C@@H](O)COc1cc(Cl)ccc1Cl	2626801	ONRBXXSMQNRJMC-QGZVFWFLSA-N	422.308	4.734	10	40	HJCB	
Cc1ccc(C(=O)N2C(=O)/C(=C\C=C\c3ccc(N(C)C)cc3)SC2=S)cc1	5337343	OPUOZFQCTXNHGI-QZRSKMOPSA-N	408.548	4.659	10	40	HJCB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21	6951562	LHVRJYRWVMSTPF-VEVIJQCQSA-N	401.806	4.992	10	40	HJCB	
O=C(CSc1nc2ccccc2n1CCc1ccccc1)c1ccc(O)c(O)c1	12546613	NDLKOZVRJISFAO-UHFFFAOYSA-N	404.491	4.665	10	40	HJCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2c(Cl)cccc2Cl)C1=O	409211524	NRDWKCISVKXQQL-DHZHZOJOSA-N	409.656	4.622	10	40	HJCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O	57476828	VENUDAOQGFQNRL-QKIOLIMFSA-N	414.939	4.833	10	40	HJCB	
COc1ccccc1[C@@H]1Nc2c(C(=O)O)cc(Br)cc2[C@@H]2C=CC[C@@H]21	58928773	NXQFIERFKOGGCQ-FHSNZYRGSA-N	400.272	4.982	10	40	HJCB	
COc1ccc(N2N=C(C)/C(=C(\C)Nc3cccc(Br)c3)C2=O)cc1	112125039	QVVAFKXPKKMHTD-PDGQHHTCSA-N	400.276	4.566	10	40	HJCB	
CC1CCN(c2ccc([C@H](C)NC(=O)C3(c4ccccc4)CCOCC3)cc2)CC1	225383245	NHKBGXBKCRGCLG-NRFANRHFSA-N	406.570	4.849	10	40	HJCB	
CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)NC1=S	409092090	SWIUBQRTUOKDAO-MFOYZWKCSA-N	408.354	4.869	10	40	HJCB	
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)NC2=S)cc1	409235680	CUJKKINBFGCKGR-XSFVSMFZSA-N	416.502	4.901	10	40	HJCB	
Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cn(C(C)C)c3ccccc23)C1=O	409247175	GROOVHQXPNHCKJ-GZTJUZNOSA-N	421.884	4.850	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C/c3c(F)cccc3Cl)SC2=S)c(OC)c1	5372357	QXQFGNXUDXLTDX-SXGWCWSVSA-N	409.891	4.902	10	40	HJCB	
COc1cc(Br)cc(/C=C2\SC(Nc3ccccc3C)=NC2=O)c1O	12607856	YJJGRQNLQRSDQI-NVNXTCNLSA-N	419.300	4.554	10	40	HJCB	
CCc1ccc(/C=C2\C(=N)N3N=C(Cc4ccc(Cl)cc4)SC3=NC2=O)cc1	33572885	QZGIZEYNSRZIJX-AMWUQPRHSA-N	408.914	4.764	10	40	HJCB	
C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N2CCC[C@@H](C)C2)cc1	217872623	NBLBWIFZZOHGNA-CABCVRRESA-N	401.894	4.976	10	40	HJCB	
COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCc1ccc(F)cc1	4551749	SZWMQQDHKCDUBT-NVNXTCNLSA-N	409.891	4.556	10	40	HJCB	
CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S	4747571	MVKCPUZUBYPSCV-GULXKOIASA-N	407.900	4.664	10	40	HJCB	
Cc1ccc(-c2cc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)no2)cc1	11917525	YAOSPNKWLFABPC-QFIPXVFZSA-N	419.525	4.537	10	40	HJCB	
Cc1ccc(COc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1	13942537	BJVRPCDLKXNJDL-STZFKDTASA-N	418.880	4.689	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)N=C2O)cc1	17112205	KERPMRRKPNKDLJ-LDADJPATSA-N	406.825	4.779	10	40	HJCB	
COc1ccccc1NC(=O)CC(=O)n1nc(C)c(/N=N/c2ccccc2F)c1C	17194788	YVURVOGOMDAWGV-OCOZRVBESA-N	409.421	4.732	10	40	HJCB	
O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc(Br)s1	13304725	OIULIRIQVDOXOW-UHFFFAOYSA-N	412.264	4.538	10	40	HJCB	
C[C@H](c1ccccc1)N(Cc1cc(=O)n2cc(Cl)ccc2n1)Cc1ccccc1O	95410939	NDINBQQBQWOCIT-QGZVFWFLSA-N	419.912	4.817	10	40	HJCB	
Cc1cc(-c2ccc(C=C3C(=O)OC4(CCCCC4)OC3=O)o2)cc([N+](=O)[O-])c1C	4501840	SBBNDQUBTIWWPS-UHFFFAOYSA-N	411.410	4.615	10	40	HJCB	
CCOc1ccc(CCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1OCC	38752834	WDLISUDSVPWWOM-UHFFFAOYSA-N	410.558	4.723	10	40	HJCB	
CC(=O)c1cccc(-c2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)C(=O)N=C3O)o2)c1	59135438	UFOAOXOPBXVEAM-XDHOZWIPSA-N	418.380	4.795	10	40	HJCB	
COc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1OC	217924732	SCULMEFIUVLDFN-HKSGFYMUSA-N	408.542	4.831	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc(Cl)c1OC	409341830	AEPPGABGTMZHJQ-OVCLIPMQSA-N	409.891	4.902	10	40	HJCB	
COc1ccc(-c2c(C)c3ccc(O)c(CN4CCC(C)CC4)c3oc2=O)cc1OC	4353856	DIADNEOKMMZYED-UHFFFAOYSA-N	423.509	4.723	10	40	HJCB	biogenic
Cc1ccccc1N/C=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	100107963	PVVNVGTVVZZGQY-BENRWUELSA-N	402.401	4.866	10	40	HJCB	
CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c2ccccc12	408786702	UWRLEUNGTAUVMX-KGENOOAVSA-N	414.461	4.522	10	40	HJCB	
Cc1ccc(Sc2oc(/C=C3/SC(=S)NC3=O)cc2Br)cc1	408913963	WKFITEOLAZHQPZ-KPKJPENVSA-N	412.355	4.991	10	40	HJCB	
CCOc1c(Cl)cc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1Cl	409078120	HRAMMTDYSMJRBS-ZEVOCZHWSA-N	418.367	4.772	10	40	HJCB	
Cc1cccc(Nc2cc(N3CCN(C)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1	2306996	IJNPBTUMYXAIDB-UHFFFAOYSA-N	424.504	4.843	10	40	HJCB	
COc1ccc(-c2coc3c(CN4CCCC[C@@H]4C)c(O)ccc3c2=O)cc1OC	4062490	ZTIUJVGTIDNYBB-HNNXBMFYSA-N	409.482	4.557	10	40	HJCB	biogenic
O=C(O)c1ccc(-n2cccc2/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1	96868527	PPGITVMYOIYPMS-QGOAFFKASA-N	406.488	4.581	10	40	HJCB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=c3\sc4nc5ccccc5n4c3=O)cc21	208241612	GLVBTDGQYREFMS-CFFVULROSA-N	423.969	4.832	10	40	HJCB	
CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OC	408901394	DWZUUKOSMRFQRX-MHWRWJLKSA-N	415.287	4.663	10	40	HJCB	
Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1-c1cc(Cl)cc(Cl)c1	12522077	ITCOSQAXIAZGQS-UHFFFAOYSA-N	417.292	4.762	10	40	HJCB	
Cc1nc([C@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)cc2)sc1C	19559885	WMKNZCXRGZKRBP-NRFANRHFSA-N	413.612	4.732	10	40	HJCB	
C[C@H]1CCCCN1c1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cn1	223952641	DWGLCGDHQGVELR-SFHVURJKSA-N	409.603	4.547	10	40	HJCB	
CC[C@H](C)n1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21	408895213	CYQJUDCXWTYMLG-UOEVCUDDSA-N	401.466	4.587	10	40	HJCB	
Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C(C)C	9263165	VUQKVESYGRULNK-ZROIWOOFSA-N	420.296	4.659	10	40	HJCB	
COc1ccc(N2CCCC2)c(N(C(=O)c2cccs2)C(=O)c2cccs2)c1	20228920	OERDGVHESJEVHD-UHFFFAOYSA-N	412.536	4.906	10	40	HJCB	
COc1cccc(Oc2c(C)oc3c(CN4CCCCCC4)c(O)ccc3c2=O)c1	20357542	WMYXFEJICCSYOE-UHFFFAOYSA-N	409.482	4.984	10	40	HJCB	biogenic
CC(=C\c1ccccc1)/C=C1/SC(=S)N([C@@H](Cc2ccccc2)C(=O)O)C1=O	27533920	LDZQUNCQSFRUPO-GLGRLZMWSA-N	409.532	4.530	10	40	HJCB	
CCCCCC1=NN2C(=N)/C(=C/c3cccc(Br)c3)C(=O)N=C2S1	41083130	FPEXWCCTBGZBNL-DDRPPYOZSA-N	405.321	4.649	10	40	HJCB	
Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@H]2c1ccncc1	102005932	INSFHKDIONCDKT-RXVVDRJESA-N	422.282	4.792	10	40	HJCB	
CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C	222875848	NOTFGAUTJZBZRG-FGZHOGPDSA-N	406.555	4.577	10	40	HJCB	
Oc1ccc([C@@]23CCCC[C@@H]2C2(CCCCC2)c2ccc(O)c(O)c2O3)c(O)c1O	4601474	CMIFNKWYNSYEJE-KOSHJBKYSA-N	412.482	4.895	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)N=C2S1	5950993	HDZYXNBYOMDPFD-YEZNUIPASA-N	404.495	4.685	10	40	HJCB	
Nc1nn2c(-c3ccccc3)cc(O)nc2c1/N=N/c1ccc(Br)cc1	18083407	UMMCYDXVJFEAOF-GHVJWSGMSA-N	409.247	4.862	10	40	HJCB	
CCCn1cc(/C=C2\C(=O)N(c3cccc(OC)c3)C(=S)N=C2O)c2ccccc21	33331247	BUHTUUUKAQRLNR-UNOMPAQXSA-N	419.506	4.732	10	40	HJCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc2ncccc2c1	409223502	ZTOKUNPLTKNUCT-BUVRLJJBSA-N	422.488	4.735	10	40	HJCB	
Oc1ccccc1CN(Cc1ccco1)C[C@@H](O)COc1ccc(Cl)cc1Cl	3425880	CZBLHLGOEJTEML-QGZVFWFLSA-N	422.308	4.734	10	40	HJCB	
Cc1nn(CC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c(C)c1[N+](=O)[O-]	13525189	BUSWFTVWUMTVRL-UHFFFAOYSA-N	420.391	4.717	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(Br)cc1	59516195	WJDVZPPINAXDHP-AQTBWJFISA-N	412.283	4.716	10	40	HJCB	
CCOC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc2c1CCCCC2	102658901	JLZCLJZLBAMYKS-NBVRZTHBSA-N	423.538	4.912	10	40	HJCB	
O=Cc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1	5375102	RJIPZMLOAWMJTH-NVNXTCNLSA-N	404.310	4.667	10	40	HJCB	
COc1ccc2nc(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)ccc2c1	8991253	YQLCRKHGDYJKMI-XSFVSMFZSA-N	406.532	4.687	10	40	HJCB	
CC(C)COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc12	59109568	FSWHCRHDTNKDNI-KGENOOAVSA-N	420.509	4.669	10	40	HJCB	
C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H](C)Oc3ccc4c(c3)CCCC4)cc2)C1	223328109	FBUJKPIXJLNKRT-WOJBJXKFSA-N	406.570	4.885	10	40	HJCB	
COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@H]21	6713129	XBYNYXOFLODSKE-LXIYXOSZSA-N	401.806	4.992	10	40	HJCB	
CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2)SC1=S	8870006	MKHPGTHMNITJEI-XNTDXEJSSA-N	422.453	4.789	10	40	HJCB	
COc1ccc(-n2c(C)cc(C(=O)Nc3ccc(N4CCCC4=O)c(C)c3)c2C)cc1	11486914	HWTNXWJLDOIVSF-UHFFFAOYSA-N	417.509	4.790	10	40	HJCB	
CCCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccc(OC)cc1	17092378	UIULDYPHFDHIFR-HKWRFOASSA-N	420.538	4.720	10	40	HJCB	
CC(C)n1cc(/C=C2/C(=O)N=C(O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21	17209092	PPAONIPTQAXLMD-WQRHYEAKSA-N	407.857	4.746	10	40	HJCB	
COc1ccc2c(c1)N(C)/C(=C1/SC(=S)N(CCc3ccccc3)C1=O)S2	102143542	JFFPQXWTQLGPPL-ZPHPHTNESA-N	414.577	4.509	10	40	HJCB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cc([N+](=O)[O-])ccc1C	112290986	DDGARQKVACYKJW-ZHZULCJRSA-N	423.429	4.700	10	40	HJCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C	222882812	GRGKACBDNWXZPM-VXKWHMMOSA-N	405.571	4.575	10	40	HJCB	
CCOc1cc(N(CC)CC)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21	260788355	ZCDOPRAYMMKXIS-URZJWIJPSA-N	410.587	4.916	10	40	HJCB	
COc1ccc(CN(C)Cc2c(O)ccc3cc(Br)ccc23)cc1OC	3405934	FNYWYXXHXCTCHN-UHFFFAOYSA-N	416.315	4.957	10	40	HJCB	
CCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1	5372273	MSDMRQQVLPGBGV-WQRHYEAKSA-N	401.509	4.508	10	40	HJCB	
CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)N=C2S1	9293446	BNSGDOJFAZAOKM-WZBMNHFVSA-N	423.567	4.651	10	40	HJCB	
Cc1ccc(OCCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1C	33390865	JZPBTPKDYXBYFO-ZHZULCJRSA-N	413.564	4.982	10	40	HJCB	
CCN(CC)c1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1	33855387	OMSKMXNSQLVLNA-UYRXBGFRSA-N	411.483	4.678	10	40	HJCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OC(C)C	408972958	XHHBRZYSMPEVKM-WJDWOHSUSA-N	404.388	4.831	10	40	HJCB	
CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1	409349464	QGRFGCCNMLXNAD-XTBHVRTMSA-N	413.520	4.998	10	40	HJCB	
COc1ccc(-c2cc3ccc(O)c(CN4CCCC[C@H]4C)c3oc2=O)c(OC)c1	4084577	KIKIQBADWIOIQJ-OAHLLOKOSA-N	409.482	4.557	10	40	HJCB	biogenic
COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1	225656105	VUQKVDUCLRIICJ-QGZVFWFLSA-N	411.571	4.757	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1	408893823	NKURGUFZMSIPIT-PDGQHHTCSA-N	412.829	4.516	10	40	HJCB	
COC(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1	409178066	KLZIBOVMTACWTC-OVCLIPMQSA-N	407.875	4.672	10	40	HJCB	
CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1	9192204	NXCNJYJMKVVRMB-QLAZQOFOSA-N	423.567	4.651	10	40	HJCB	
CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)cc1	41076693	PHOPABFSULNWJX-FBIWUZAXSA-N	417.538	4.509	10	40	HJCB	
CCOc1ccc(-n2c(C)cc(CNC3CCN(Cc4ccccn4)CC3)c2C)cc1	48367950	FTXKKXVOMYNGBM-UHFFFAOYSA-N	418.585	4.642	10	40	HJCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)cc(Cl)c3Cl)C2=O)c1	408742723	XYZVIGOPBICGGH-QPEQYQDCSA-N	409.656	4.622	10	40	HJCB	
Cc1cccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(F)cc2)c1	408760377	XPEOKVHYHMUWTN-KGENOOAVSA-N	401.397	4.877	10	40	HJCB	
COc1ccc(/C=C2/SC(Nc3ccccc3Br)=NC2=O)c(OC)c1	2246403	ULLQISLMBYFERX-CXUHLZMHSA-N	419.300	4.549	10	40	HJCB	
C[C@@H]1CCCCN1Cc1c(O)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12	4353800	JJMHKZORMNTMII-OAHLLOKOSA-N	417.461	4.646	10	40	HJCB	biogenic
O=C1/C(=C/c2ccc(F)c(Br)c2)SC(=S)N1Cc1ccccc1	16479697	ZGFXYOUGYZLBLC-DHDCSXOGSA-N	408.317	4.990	10	40	HJCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1	260759423	GOEZXFDTPMHMQQ-NPFVIJTESA-N	404.539	4.779	10	40	HJCB	
COc1ccc2[nH]c(-c3ccccc3)c(C=C3C(=O)OC4(CCCCC4)OC3=O)c2c1	408770133	TVAUZLMYUCXDKM-UHFFFAOYSA-N	417.461	4.987	10	40	HJCB	
O=c1c2ccccc2nc(/C=C/c2cn(Cc3ccccc3)c3ccccc23)n1CCO	13427277	YYZZDMUQTBYLHW-CCEZHUSRSA-N	421.500	4.562	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc(OC)c1OC	15008363	KIGNKSVINYHQRQ-WOJGMQOQSA-N	415.536	4.735	10	40	HJCB	
Oc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccncc2)cc1	102907384	ZXVUDMVDHUMYDO-FPOVZHCZSA-N	422.282	4.792	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1	107731679	ROPPFEBXRKXUKG-ZHZULCJRSA-N	420.465	4.770	10	40	HJCB	
O=C1/C(=C\c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1ccc([N+](=O)[O-])cc1	113830532	ZUJOHOOACFVNAY-RIYZIHGNSA-N	421.843	4.562	10	40	HJCB	
CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1	223509745	NLQBZLZRGKDYJH-NRFANRHFSA-N	413.993	4.715	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1	977469	DYZIZJLXSYAZTA-YVLHZVERSA-N	405.928	4.759	10	40	HJCB	
CCCCN1C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C1S	6783103	USGXZGSVCLBUMT-ZHZULCJRSA-N	417.534	4.528	10	40	HJCB	
O=C(O)CCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)s2)SC1=S	12822916	VSTYNJKXWUWMHH-NTEUORMPSA-N	409.941	4.744	10	40	HJCB	
CC(C)(C)c1ccc(OCCOc2ccccc2/C=C2/SC(=S)NC2=O)cc1	16323265	PBNPFYDPGIMEOB-XMHGGMMESA-N	413.564	4.931	10	40	HJCB	
CCN(CC)c1ccc(CN(C(=O)COc2ccccc2OC)c2ccccn2)cc1	28292489	XDEOZVPQPVIVQW-UHFFFAOYSA-N	419.525	4.549	10	40	HJCB	
Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@H]2c1cccnc1	102907296	ZQQMNRDIMDNTPA-RXVVDRJESA-N	422.282	4.792	10	40	HJCB	
CCc1cccc(C)c1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C	222747637	DPFZOHIWACKVTF-JTHBVZDNSA-N	404.583	4.962	10	40	HJCB	
Cc1cc(C)cc(Cc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1	408877949	YVMRSHFGVPDCBC-XQNSMLJCSA-N	410.473	4.561	10	40	HJCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1	408937117	IBZQCCYWXUMENE-HZHRSRAPSA-N	414.436	4.847	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N(c3ccccc3Br)C2=O)ccc1O	1239232	RVMADCOYVYCEIC-DHDCSXOGSA-N	422.325	4.569	10	40	HJCB	
COc1cc(/C=C2\SC(Nc3cc(C)ccc3C)=NC2=O)ccc1OC(F)F	13039618	QBQFBAJMVLYTSV-YVLHZVERSA-N	404.438	4.996	10	40	HJCB	
CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(-c4ccccn4)c3C)N21	222681870	OVWLCDKNDGWDNV-ZPMCFJSWSA-N	403.555	4.864	10	40	HJCB	
Cc1cc(C(=O)OCC(=O)NC2CCCCCCC2)c(C)n1-c1ccc(F)cc1	3247500	RIUPWOTXVOVTRL-UHFFFAOYSA-N	400.494	4.619	10	40	HJCB	
O=C(O)c1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1	408759841	MRHHOKUQSJCQJE-XSFVSMFZSA-N	402.837	4.873	10	40	HJCB	
Cc1cccc(N2C(=O)/C(=C\c3cc(C)n(C4CCCC4)c3C)C(=O)NC2=S)c1C	4739649	LAFIENBHDFNOGX-MOSHPQCFSA-N	421.566	4.668	10	40	HJCB	
Cc1ccc(-n2nnnc2/C=C\Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1	5795040	ZQSKQARXEQZTSH-YPKPFQOOSA-N	415.884	4.938	10	40	HJCB	
Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)c1C	33723091	CHWWBCJWPBLEON-MHHBVAOCSA-N	419.554	4.986	10	40	HJCB	
COC(=O)c1ccc(COc2ccc3c(-c4ccc(OC)cc4)cc(=O)oc3c2C)o1	41105508	ACALMLSLWSGRER-UHFFFAOYSA-N	420.417	4.736	10	40	HJCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C(O)=NC1=S	59182319	GMBHGIHIZRMKBW-UKTHLTGXSA-N	422.337	4.888	10	40	HJCB	
Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1	408708635	RTYNAORMRXHUAF-QGZVFWFLSA-N	407.901	4.739	10	40	HJCB	
O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc3c(cc1Br)OCO3)N2	2578385	ZTCFLIAQZSENEG-AVCJSFLBSA-N	414.255	4.703	10	40	HJCB	
COc1ccc(CN2C(=O)/C(=C/C3=Cc4ccccc4O[C@@H]3C)SC2=S)cc1	2886931	AZVHVGQQZUWGLI-FAPYRAKZSA-N	409.532	4.804	10	40	HJCB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	100929751	XSGZITZPIYAROS-ZROIWOOFSA-N	405.241	4.929	10	40	HJCB	
CCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccc(N(C)C)cc1	1355561	YQLYGPYDKHSVNQ-UHFFFAOYSA-N	412.534	4.896	10	40	HJCB	
Cc1cccc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c1C	1851405	JVIBQVIQXCMABZ-UZYLVVNOSA-N	408.548	4.700	10	40	HJCB	
CC(C)(C)N(Cc1ccccc1)C(=O)CN1C(=O)/C(=C\c2ccccc2)SC1=S	11667029	PWTZGJOLXWSFTL-XMHGGMMESA-N	424.591	4.715	10	40	HJCB	
COc1cc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OC	13712023	DKXGBPRLIZNKQZ-SXGWCWSVSA-N	421.927	4.772	10	40	HJCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)C(O)=NC1=S	59182261	LJKYAYWAUSDZKW-CXUHLZMHSA-N	401.919	4.543	10	40	HJCB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccccc12	103918190	CHKICSWGHRQYOL-KQWNVCNZSA-N	404.489	4.916	10	40	HJCB	
Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccccc3F)C1=O)[C@H](C)CC(C)(C)N2C	208223931	LLINNOFWCBDJSK-YQODDJSKSA-N	421.516	4.949	10	40	HJCB	
COc1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c2cccnc12	225692743	ZBBXUCPDDDTDSK-QGZVFWFLSA-N	420.582	4.966	10	40	HJCB	
CCOC(=O)C1=C(C)N=C(SCc2ccccc2)N[C@H]1c1ccc(N(C)C)cc1	408986317	BTFHVHGYJGFCQA-NRFANRHFSA-N	409.555	4.523	10	40	HJCB	
O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1c1cccc(Br)c1	8828333	NHWFRLQPTFINSP-ZROIWOOFSA-N	416.325	4.731	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCOCC4)cc3)SC2=S)cc1C	9232290	IOGSARGXSGZLHW-XSFVSMFZSA-N	410.564	4.546	10	40	HJCB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)o1	33340957	KMTQYMRMRPBEES-CPNJWEJPSA-N	403.394	4.670	10	40	HJCB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1	218757720	IWHPEOXPRQJAPT-YDIMBITNSA-N	410.558	4.966	10	40	HJCB	
CC1CCN(c2ccc([C@H](C)NC(=O)CCc3ccc4c(c3)OCCO4)cc2)CC1	222644785	GQZCYTMVPPCPPB-IBGZPJMESA-N	408.542	4.504	10	40	HJCB	
COc1ccc(-n2c(C)ccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)cc1	222854142	KFXOKTMWMPTCRW-FGZHOGPDSA-N	406.555	4.570	10	40	HJCB	
COc1cc(N2N=C(C)/C(=C/Nc3c(C)cc(C)cc3[N+](=O)[O-])C2=O)ccc1Cl	408532026	LTGMOJRDXGBXPG-GDNBJRDFSA-N	414.849	4.592	10	40	HJCB	
Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)o1	408913740	NJYVKEJQEMOTIJ-WOJGMQOQSA-N	424.815	4.714	10	40	HJCB	
O=[N+]([O-])c1ccc(/N=N/c2sc(N3CCOCC3)nc2-c2ccc(O)cc2)cc1	16429352	IGLCLIRXXVKJNZ-QURGRASLSA-N	411.443	4.676	10	40	HJCB	
CCCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O	408806691	BFKCMPBQKSUPPZ-RCCKNPSSSA-N	414.461	4.603	10	40	HJCB	
Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)c(C)c1	5515979	RBKONNXDYSSQIU-KKVJOTPGSA-N	419.554	4.986	10	40	HJCB	
Cc1cc(C)c(OCC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c(C)c1	6804321	JKUAYJSYPMLKMU-UHFFFAOYSA-N	406.526	4.879	10	40	HJCB	aggregator
COc1ccc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(OC)c1	13647729	MUTYQANVQUKZFP-APSNUPSMSA-N	409.891	4.902	10	40	HJCB	
Cc1cc(CN(CCCn2ccnc2)Cc2cccc(F)c2)c(C)n1-c1ccccn1	36740188	NTDAKQIKYJZZTA-UHFFFAOYSA-N	417.532	4.917	10	40	HJCB	
CCS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)cc1	95465449	FYJNMIYKEJDVQF-SFHVURJKSA-N	423.534	4.589	10	40	HJCB	
Cc1cccc(Cn2c(C)c(/C=C3/C(=O)NN(c4ccccc4)C3=O)c3ccccc32)c1	409398862	FEKLLOQYFGFYEB-JLPGSUDCSA-N	421.500	4.768	10	40	HJCB	
CCN(C)c1ccc(CNCc2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1F	78869791	HPLDMDVNRSBQCL-UHFFFAOYSA-N	418.919	4.917	10	40	HJCB	
CN(C)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc1	215049079	YJRLGZSYXKOZFC-GZTJUZNOSA-N	417.328	4.752	10	40	HJCB	
Cc1ccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2ccc(F)cc2)cc1	408766442	QQRPWUSWHXYYKG-KGENOOAVSA-N	400.409	4.667	10	40	HJCB	
CN1C(=O)/C(=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)SC1=S	6379255	DFFGWECDCRGFNU-UYRXBGFRSA-N	405.500	4.890	10	40	HJCB	
Cc1c(O)c(CNCc2cccc(C(F)(F)F)c2)cc2c3c(c(=O)oc12)CCC3	6760786	ZRKCTCVNNVQUBF-UHFFFAOYSA-N	403.400	4.604	10	40	HJCB	
COC(=O)c1ccc(/C=C2/SC(Nc3ccccc3C(F)(F)F)=NC2=O)cc1	6871736	LTOJFQBYXPOPOQ-XNTDXEJSSA-N	406.385	4.574	10	40	HJCB	
CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S	8884258	HHQBOTMFWFHPJF-ZXMBATIKSA-N	419.499	4.786	10	40	HJCB	
C=CCC1(O)[C@H](C)[C@H](c2ccc(N(C)C)cc2)N[C@@H](c2ccc(N(C)C)cc2)[C@H]1C	13800124	LDHOBSYIOMEWGH-PIYXRGFCSA-N	407.602	4.784	10	40	HJCB	
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccc3C)C2=O)cc1	13809981	PODBZLWETWSVJT-RGEXLXHISA-N	410.564	4.924	10	40	HJCB	
O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2cc(Br)ccc2O)CS1	96338460	OTSMBXSSUIILAD-HNNXBMFYSA-N	416.300	4.571	10	40	HJCB	
CCc1ccc(S(=O)(=O)Nc2cc(Br)c(O)c3ccccc23)cc1	1212669	LMCLICSIGSVTCH-UHFFFAOYSA-N	406.301	4.671	10	40	HJCB	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N2)c1ccc(Cl)cc1Cl	4371930	FXXMVOQVYPYDOI-SNUQEOBHSA-N	403.265	4.784	10	40	HJCB	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1ncc(-c2ccccc2)n1C	5175144	FGLKCJZCZAVNGI-UHFFFAOYSA-N	417.538	4.620	10	40	HJCB	
COc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21	9422795	GAQUWELBUQSRHR-XMSQKQJNSA-N	407.857	4.692	10	40	HJCB	
COC(=O)c1ccc(C)c(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1	260735450	IOZXAPKQHOKUNB-INIZCTEOSA-N	411.571	4.505	10	40	HJCB	
CCN1c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc2[C@H](C)CC1(C)C	208321629	LOGAWBCRGIZQNP-RHTHQAGFSA-N	403.526	4.892	10	40	HJCB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=S)NC3=O)c2C)ccc1Br	409001936	YCDAQHIZZFGCFF-NVNXTCNLSA-N	407.358	4.654	10	40	HJCB	
Cc1cc(OCC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)ccc1Cl	6804328	KBNXONVKQKCHBJ-UHFFFAOYSA-N	412.917	4.915	10	40	HJCB	
Cc1cccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccc(F)cc2)c1	9694747	BZZOXDIIBOWECI-XSFVSMFZSA-N	401.397	4.877	10	40	HJCB	
COc1ccc(N2COc3ccc4c(c3C2)OC2(CCCCC2)CC4=O)c(OC)c1	20738001	CYFMGZQLAICROR-UHFFFAOYSA-N	409.482	4.728	10	40	HJCB	
CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S	54360596	LFJCUSUUDNNXSL-KWZJRMENSA-N	405.472	4.540	10	40	HJCB	
Cc1cc(-c2ccc(C=C3C(=O)OC(c4ccccc4)OC3=O)o2)cc(C)c1[N+](=O)[O-]	1411779	DPHZXWFBUMJWLV-UHFFFAOYSA-N	419.389	4.654	10	40	HJCB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1c(-c2ccccc2)[nH]c2ccccc12	2359041	QIWDJKHFOOVEES-HKWRFOASSA-N	407.429	4.501	10	40	HJCB	
O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2Cl)N1c1ccccc1	59230207	GJWKYTNZENELQB-XDHOZWIPSA-N	402.837	4.903	10	40	HJCB	
COC(=O)c1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1	408760209	UOOWZMOGAOSOIT-XQNSMLJCSA-N	410.473	4.925	10	40	HJCB	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccc(F)cc2)N1c1ccc(F)cc1	408840246	CUYARLADNWOQCL-CPNJWEJPSA-N	405.360	4.708	10	40	HJCB	
CCN(CC)c1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1	409052481	UAMOHKCDWJEVBL-HKWRFOASSA-N	414.502	4.787	10	40	HJCB	
CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S	5371918	ZRNRPCTXMNDZJT-BFTHVDOESA-N	404.340	4.838	10	40	HJCB	
Cc1ccc(S(=O)(=O)NNc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	16310410	SUUNFMHAMZSKEX-UHFFFAOYSA-N	414.339	4.731	10	40	HJCB	
Cc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccccc1	41082957	LAQFRAVFAHPWSW-PBOWYIGHSA-N	405.527	4.759	10	40	HJCB	
CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N(c2ccccc2)C1=O	59138905	PZPOAGJCGFANEV-QGOAFFKASA-N	406.825	4.609	10	40	HJCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(O)cc1	222831231	XQZIWRIDWXGGAV-VXKWHMMOSA-N	406.555	4.576	10	40	HJCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c1C	222928197	SOXXLJKZMAJXNW-FCHUYYIVSA-N	419.598	4.821	10	40	HJCB	
CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1	225665251	WHFJPNLIXDFELI-QGZVFWFLSA-N	411.571	4.901	10	40	HJCB	
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(Oc4ccccc4)c3)C2=O)cc1C	408855131	DSPGDBLATKJMEA-PXLXIMEGSA-N	412.445	4.762	10	40	HJCB	
O=C(CCN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)Nc1ccccc1	17201456	WYWDRFMNUDLMGU-FOWTUZBSSA-N	402.928	4.570	10	40	HJCB	
Cc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2Cc2ccco2)cc1	44086199	VFDIXQOHMIRLPV-UHFFFAOYSA-N	410.524	4.687	10	40	HJCB	
COc1ccc(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1C(=O)O	226857081	OCAHDQATWPGLDQ-QURGRASLSA-N	411.439	4.610	10	40	HJCB	
CCOc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCCOC)C3=O)c2C)cc1	2144209	QHWWNDNRLLXWFW-XSFVSMFZSA-N	414.527	4.566	10	40	HJCB	
COc1ccccc1-n1cnnc1SCC(=O)c1cc(C)n(-c2ccccc2)c1C	2641427	LITXRPPTXAAVGM-UHFFFAOYSA-N	418.522	4.658	10	40	HJCB	
CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S	5485363	AQEYESZBGLCPIU-GULXKOIASA-N	407.900	4.664	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1	13942398	OSXZVSXWQJJPOM-JCMHNJIXSA-N	404.510	4.637	10	40	HJCB	
Cc1ccc(NC(=O)CN2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)cc1C	16740095	VAXDQCZXWOUWRU-AVSIYSEJSA-N	408.548	4.700	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)C(O)=NC2=S)cc1C	59104404	XVTYGZNQIZSCFE-ZHZULCJRSA-N	405.523	4.575	10	40	HJCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1	222837676	UYXIRQGGTQRJOQ-VXKWHMMOSA-N	405.571	4.573	10	40	HJCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccc(Cl)cc1	8765622	OGSFTHNYZIGCJU-WJDWOHSUSA-N	420.918	4.709	10	40	HJCB	
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)N(c2ccccc2)c2ccccc21	34888397	JYOGEEHCTMYJEN-QJOMJCCJSA-N	412.489	4.751	10	40	HJCB	
CC1CCN(c2ccc([C@H](C)NC(=O)c3cccc(N4CCCC4=O)c3)cc2)CC1	219214702	MKUZKCDLPZANBH-IBGZPJMESA-N	405.542	4.541	10	40	HJCB	
COc1ccc([C@@H]2Nc3c(Cl)cc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-]	408877581	SNUMNZBBJSTHJT-VBHSOAQHSA-N	400.818	4.782	10	40	HJCB	
Cc1c(CN(C)C)c2c(n1Cc1ccccc1)C(=O)c1ccc(Br)cc1-2	978648	DGDOAYXAWGZZMH-UHFFFAOYSA-N	409.327	4.880	10	40	HJCB	
Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(CC(=O)c2ccccc2)C1=O	15011275	CGNPODROAUJKGY-STZFKDTASA-N	406.507	4.514	10	40	HJCB	
CC1=NN(C(=O)c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1	408945910	XRVWPCZASNXHIK-HZHRSRAPSA-N	414.436	4.847	10	40	HJCB	
CC(C)OC(=O)c1sc2nc(C(F)(F)F)c(C(=O)c3cccs3)cc2c1N	9419144	HDSPUGBEPNVFBW-UHFFFAOYSA-N	414.430	4.755	10	40	HJCB	
Cc1cccc(OCCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c1C	33391793	STGKQEVWFBXWQN-ZHZULCJRSA-N	413.564	4.982	10	40	HJCB	
C/C(=C\C(C)(C)O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1O	80325276	IRXSLUBFQMMKPQ-JKIKYLSZSA-N	415.331	4.981	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CCCC4)c3C)C(O)=NC2=S)cc1	96860840	GZLBMFNVPYPYJJ-DEDYPNTBSA-N	423.538	4.900	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)C(=O)NC2=S)c(C)c1	409015519	RJJOUQUJKXKCGL-LDADJPATSA-N	420.465	4.534	10	40	HJCB	
COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C2/SC(S)=NC2=O)cc1	17087753	BLJDEWWVRVCDAC-WOJGMQOQSA-N	407.520	4.507	10	40	HJCB	
COc1cc(N2CCCCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21	222595351	AIKKHGIMPAMBMI-KNXBSLHKSA-N	408.571	4.670	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(F)cc3)C2=O)cc1OC	408765745	NPFPSYWNBMQAKR-DEDYPNTBSA-N	420.415	4.817	10	40	HJCB	
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1c2ccccc2cc2ccccc12	5739781	YQDNPHWFPUCIOB-HMAPJEAMSA-N	410.404	4.799	10	40	HJCB	
CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(c2cccc(C(=O)O)c2)C1=O	9805446	NMGOVXOGSJFXHA-YBEGLDIGSA-N	419.911	4.843	10	40	HJCB	
CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1ncc(-c2ccccc2)n1C1CC1	22417642	MWDWDGOYQDXZEC-UHFFFAOYSA-N	420.582	4.702	10	40	HJCB	
Cc1cc2c(cc1/C=C1\NC(=O)N(Cc3ccccc3)C1=O)[C@@H](C)CC(C)(C)N2C	208228639	NUSNMRQOSFBWGR-WBRURWICSA-N	403.526	4.810	10	40	HJCB	
CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(N(CC)CC)cc3OC)N21	222688139	BOBGOBLAKBPYCO-WQTXXOFMSA-N	410.587	4.916	10	40	HJCB	
CCc1ccccc1N1C(=O)/C(=C/c2ccc(OC)c(OC)c2OC)SC1=S	5371964	BBPLCWVMFWLNOH-ATVHPVEESA-N	415.536	4.681	10	40	HJCB	
Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(Cl)cc1	12436908	HIKPJZYUOXUJPL-NDENLUEZSA-N	405.910	4.518	10	40	HJCB	
CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2OC)c1O	21360395	DIVZJPBRYPPWAY-QHCPKHFHSA-N	420.465	4.579	10	40	HJCB	
N=C1/C(=C/c2cccn2-c2ccccc2F)C(=O)N=C2SC(C3CCCCC3)=NN12	41076357	MAMLIXAOLMPRIT-XSZXRDMNSA-N	421.501	4.816	10	40	HJCB	
Cc1ccc(C(=O)c2ccccc2)c(N/C=C\c2nnnn2-c2ccc(Cl)cc2)c1	100662144	DLQWKUSEKBGXGG-YPKPFQOOSA-N	415.884	4.938	10	40	HJCB	
COc1ccccc1C1=N/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(F)cc1	408842199	NSPOIVVXNVTKBV-XMHGGMMESA-N	417.396	4.577	10	40	HJCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1c(C)[nH]c2ccccc12	409042680	CFFRMGZGTJQPCX-KPKJPENVSA-N	405.326	4.978	10	40	HJCB	
Cc1cc(-c2csc(NC(=O)c3ccncc3)n2)c(C)n1-c1ccc2c(c1)OCO2	9284359	DUUOXVIDKYURRT-UHFFFAOYSA-N	418.478	4.594	10	40	HJCB	
Cc1ccc2c(C)c(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)oc2c1	15831774	UOLFFVUOTJEDHY-NRFANRHFSA-N	406.526	4.937	10	40	HJCB	
O=C1N/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1	27570978	ITDHPUPSEBIESJ-UNOMPAQXSA-N	416.308	4.687	10	40	HJCB	
CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3cccc(Cl)c3)C2=O)c1	59105061	DZTQCCFJGKTWHY-LFIBNONCSA-N	414.845	4.644	10	40	HJCB	
COc1ccc(N2CCN(c3ccc(N(C(=O)O)c4ccccc4)cc3)CC2)cc1	79671463	JFAKBMUYACWFGN-UHFFFAOYSA-N	403.482	4.838	10	40	HJCB	
CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(N4CCCC4)cc3OC)N21	222677458	JGJQYFASUVSPRI-KNXBSLHKSA-N	408.571	4.670	10	40	HJCB	
COC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)ccc1Cl	225695615	GFUGJJZTUWESMB-CQSZACIVSA-N	417.962	4.774	10	40	HJCB	
CCc1ccc(OCC(=O)NCc2ccc(N(CC)CC)cc2)c(Br)c1	224936158	IOGLRGLORWZSBI-UHFFFAOYSA-N	419.363	4.553	10	40	HJCB	
CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1	260453314	IWHPEOXPRQJAPT-GLDPYIMESA-N	410.558	4.966	10	40	HJCB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)NC(SC(C)C)=N1	408992856	USVZNRRDRCBQNB-NRFANRHFSA-N	408.571	4.807	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)c(OC)c1	5371536	UKRUBZPUXPEYLV-GRSHGNNSSA-N	410.520	4.601	10	40	HJCB	
COc1ccc(-c2cc(=O)oc3c(C)c(OCc4ccc(C(=O)O)o4)ccc23)cc1	36369984	DRQAFOAAGLOFAI-UHFFFAOYSA-N	406.390	4.647	10	40	HJCB	biogenic
CN(C)c1ccc(/C=C2\CCCC3=C2NC(=S)N[C@@H]3c2ccc(N(C)C)cc2)cc1	2260293	SWXXUNASLTXPIX-WNLUNTPQSA-N	418.610	4.859	10	40	HJCB	
COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc(Br)c1O	6180703	GACKEJYAVNWDMU-WUXMJOGZSA-N	407.647	4.798	10	40	HJCB	
CC(C)[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1	10906902	SJVWCZCFPHDBJH-QFIPXVFZSA-N	400.950	4.575	10	40	HJCB	
Cc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1N1CCCC1=O	225418471	QJTREILKZRQOKA-UHFFFAOYSA-N	422.598	4.599	10	40	HJCB	
Cc1ccc(CN2C(=O)N/C(=C/c3ccc(N4CCCC4)c4ccccc34)C2=O)cc1	409246987	AKKUTKGNMUGUPT-XQNSMLJCSA-N	411.505	4.841	10	40	HJCB	
O=C1N=C(Nc2cccc(O)c2)S/C1=C\C(Cl)=C\c1ccc([N+](=O)[O-])cc1	944860	FGJKMERXJOTRPO-FNOQKXNMSA-N	401.831	4.506	10	40	HJCB	
COCCCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=S	9189317	FLHDNZPADVCMSK-ZHZULCJRSA-N	413.564	4.812	10	40	HJCB	
CCc1ccc(OCCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)cc1	33391795	SBZBCVGSTRDXTD-HKWRFOASSA-N	413.564	4.928	10	40	HJCB	
Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@H]2c1ccco1	102907306	WPPRXYCTQGAEQO-JXFKEZNVSA-N	411.255	4.990	10	40	HJCB	
COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1	260735159	FTWQYVICJBICGY-IRXDYDNUSA-N	411.571	4.757	10	40	HJCB	
O=C1C(=Cc2cc(Cl)ccc2O)C(=O)N(c2ccccc2)C(=O)N1c1ccccc1	408889921	KZRWUAHKLKDAFD-UHFFFAOYSA-N	418.836	4.629	10	40	HJCB	
O=[N+]([O-])c1cc(/C=C/c2nc(-c3ccc(F)cc3)cs2)ccc1N1CCOCC1	5691793	POIZEFGWWHRJEZ-KRXBUXKQSA-N	411.458	4.864	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)C1	260466379	RVMDXPRMBCSOCS-LSDHHAIUSA-N	401.894	4.976	10	40	HJCB	
O=C(NN1C(=O)/C(=C/c2ccccc2)SC1=S)c1ccc(Cl)cc1Cl	5214655	OTUGNSRGZFGOPE-ZSOIEALJSA-N	409.319	4.540	10	40	HJCB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(C)c3C)C2=O)cc1	1182621	WCMUHDLXSOOAJS-CPNJWEJPSA-N	410.564	4.842	10	40	HJCB	
CN(C)c1ccc([C@H]2N=C(O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)cc1	3647476	ZQYOXKIJZZAKLY-QFIPXVFZSA-N	418.566	4.801	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1	59435730	JBBXTUVBLZXCOA-YBEGLDIGSA-N	418.276	4.879	10	40	HJCB	
CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1	59459811	PEDRXXHFAUDZJS-AQTBWJFISA-N	413.524	4.847	10	40	HJCB	
C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(N4CCCC4=O)cc3)cc2)C1	225691695	SOAFSGVCJJYQSP-SFHVURJKSA-N	422.598	4.536	10	40	HJCB	
Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	408781247	AZBBPMRWGHVRGX-MDZDMXLPSA-N	424.369	4.950	10	40	HJCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccccc1OC	409024503	ZJEBUFZHMFRQCH-IUXPMGMMSA-N	418.276	4.879	10	40	HJCB	
CN(C)c1ccc(-c2nc(-c3ccc(Br)cc3)c(CC(=O)O)s2)cc1	2955991	AVBDLXHPWWYFRM-UHFFFAOYSA-N	417.328	4.933	10	40	HJCB	
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)c1C	5487840	CHWWBCJWPBLEON-KKVJOTPGSA-N	419.554	4.986	10	40	HJCB	
O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1)NCc1ccco1	9254673	GAPNQSRGDWJMPM-UHFFFAOYSA-N	421.497	4.739	10	40	HJCB	
Cc1cc(C)cc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1	9137633	PLEKNYDCRZHGIR-RUZDIDTESA-N	405.586	4.643	10	40	HJCB	
CCOc1cccc([C@@H]2NC(=O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)c1O	17085957	WWBZNMJMFAHFPJ-HXPMCKFVSA-N	400.544	4.858	10	40	HJCB	
CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(SC)SC3=NC2=O)c1C	41083547	AWPNGGJPAKQXSK-HLLBZCHMSA-N	423.567	4.596	10	40	HJCB	
O=C(Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](C(=O)O)N2)c1ccc(Cl)cc1Cl	101700176	PREIJVXDCSNASS-LXIYXOSZSA-N	404.249	4.751	10	40	HJCB	
COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C	223645537	SRSLOWNXTGSDIN-VQIMIIECSA-N	416.587	4.588	10	40	HJCB	
CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1	409335914	ZQTGIOOBBMIHHH-DEDYPNTBSA-N	423.538	4.551	10	40	HJCB	
CN(C)c1ccc(/C=C2/SC(=O)N(NC(=O)c3cccc(Cl)c3)C2=S)cc1	1799955	LIRWEKYATWGDEC-MHWRWJLKSA-N	417.943	4.588	10	40	HJCB	
CCOc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC)SC4=NC3=O)c2C)cc1	5196222	PNFXCLWQNNRJQQ-ZXTIBJMCSA-N	421.526	4.522	10	40	HJCB	
CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1ccc([N+](=O)[O-])cc1Br	8567321	BQRFQDDTVTXLFX-UVTDQMKNSA-N	417.288	4.877	10	40	HJCB	
CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1	38737235	WWJMTRCSKAHYCQ-UHFFFAOYSA-N	415.898	4.771	10	40	HJCB	
COC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CC[C@H](C(C)(C)C)C2	17092779	BQUYVTSRZJNFJW-MELADBBJSA-N	421.559	4.515	10	40	HJCB	
O=C1/C(=C/c2cc3cc4c(cc3nc2Cl)OCO4)SC(=S)N1C1CCCC1	102728294	MDRAHNQTGQTFBL-APSNUPSMSA-N	418.927	4.761	10	40	HJCB	
CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(-c4ccccn4)c3C)N21	260775044	OVWLCDKNDGWDNV-WTNAPCKOSA-N	403.555	4.864	10	40	HJCB	
Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	4179507	MZWQTVQCPYPKIS-UHFFFAOYSA-N	408.413	4.678	10	40	HJCB	
COc1ccc(C2=N/C(=C/c3cccc(OC)c3)C(=O)N2c2ccc(OC)cc2)cc1	5558671	NPFJGUDCQIUEOO-XQNSMLJCSA-N	414.461	4.547	10	40	HJCB	
COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)c2C)cc1	222831764	OGXCCMJZNRNGEO-GOTSBHOMSA-N	420.582	4.879	10	40	HJCB	
C/C(NC1CCCCCC1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1	17091447	WXYMSIHUZYORNF-XLNRJJMWSA-N	418.497	4.932	10	40	HJCB	
CCn1nc(C)c2c(C(=O)N[C@@H](C)c3ccc(N4CCCCC4)cc3)cc(C)nc21	36616856	JAAURUAIPZNNLQ-KRWDZBQOSA-N	405.546	4.549	10	40	HJCB	
CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C1=O	409227802	RDSRTINMKMBJMA-HZHRSRAPSA-N	415.493	4.586	10	40	HJCB	
O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1ccccc1Cl	2335560	CVCSIWXBMSZBAG-PDGQHHTCSA-N	418.349	4.786	10	40	HJCB	
COCCN1C(=O)/C(=C/C2=Cc3ccccc3O[C@H]2c2ccccc2)SC1=S	2703935	ZZFJMVHLUXUJDC-STIKNRRDSA-N	409.532	4.594	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccccc3OC)N(c3ccc(OC)cc3)C2=O)cc1	39132421	VVNLBMPLUNHYPM-CJLVFECKSA-N	414.461	4.547	10	40	HJCB	
CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O	408802339	ZHCQCEADQNUOPT-XSFVSMFZSA-N	414.461	4.522	10	40	HJCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3c(OC(C)C)ccc4ccccc34)C2=O)c1	408813755	YLGOWHVXZSRBFV-KGENOOAVSA-N	414.461	4.602	10	40	HJCB	
CCOc1ccccc1/C=C1\C(=O)N(c2ccc(C)c(Cl)c2)C(C)=C1C(=O)OC	409018047	QBEKKSDEQDPYLV-PDGQHHTCSA-N	411.885	4.924	10	40	HJCB	
CCCOc1ccc(/C=C2/SC(=S)N(CCC)C2=O)cc1Br	409350299	XVQOVLXUSSAQEB-GXDHUFHOSA-N	400.363	4.849	10	40	HJCB	
CCN(Cc1ccc(N2CCC(OC)CC2)cc1)C(=O)c1ccccc1OC(F)F	58055292	RMPJFDIDQJEUHA-UHFFFAOYSA-N	418.484	4.566	10	40	HJCB	
Cc1cc(N2CCCC2)ccc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O	214983800	XZTTZFFXSHJPPF-DEDYPNTBSA-N	423.494	4.740	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccccc3OC)N=C2c2ccccc2F)cc1	408754542	KSKNEGYPNPSYRT-RCCKNPSSSA-N	402.425	4.677	10	40	HJCB	
CCCC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S	12274221	KEHKQIPUBQIJQP-QAEAHILHSA-N	419.499	4.930	10	40	HJCB	
O=C1N=C(NCc2cccc(Cl)c2)S/C1=C/c1cccc(Oc2ncccn2)c1	12956882	SXRUMLXAUKPBEL-LDADJPATSA-N	422.897	4.682	10	40	HJCB	
Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1F	409067684	PHMOLKOTLOKCFW-YBFXNURJSA-N	409.848	4.984	10	40	HJCB	
CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C1=O	409102610	DNZZHALEBJTJKG-CXUHLZMHSA-N	405.317	4.913	10	40	HJCB	
CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1	409349462	QGRFGCCNMLXNAD-GJUHEBOISA-N	413.520	4.998	10	40	HJCB	
O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	1406844	BLYKLEPDYSCJLG-UHFFFAOYSA-N	417.801	4.652	10	40	HJCB	
CCCCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(CC)cc2)SC1=S	4746551	AFSVFXWDLNDSAB-SDXDJHTJSA-N	405.585	4.964	10	40	HJCB	
Cc1cc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)c(C)n1-c1ccccc1F	41082960	KSUPDPXPWQJSTR-RSRMSENYSA-N	423.517	4.899	10	40	HJCB	
COc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3cc(Cl)ccc3O)C[C@H]21	9422796	GAQUWELBUQSRHR-GCJKJVERSA-N	407.857	4.692	10	40	HJCB	
O=C(Cc1csc2[n+]1C(=O)/C(=C\c1ccc(Cl)cc1)S2)Nc1ccccc1	17222836	JSDLDGCJKBHXFO-LICLKQGHSA-O	413.931	4.657	10	40	HJCB	
O=C1c2ccccc2C(=O)c2c1oc1c3c(ccc21)OCN(CCc1ccccc1)C3	20191929	RGOSHVJUFBNBCN-UHFFFAOYSA-N	409.441	4.603	10	40	HJCB	biogenic
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(O)cc1	222831178	XQZIWRIDWXGGAV-FCHUYYIVSA-N	406.555	4.576	10	40	HJCB	
O=C(O)CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S	3044024	DEKAKJMQCBGNOB-AWNIVKPZSA-N	414.291	4.539	10	40	HJCB	
CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1	7073130	YFFZQGDHUTVSDS-MRXNPFEDSA-N	413.473	4.993	10	40	HJCB	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1sc2ccccc2c1Cl	10907131	BPDOJXHCXNLVFN-UHFFFAOYSA-N	400.931	4.664	10	40	HJCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3Cl)C(=O)N=C2O)cc(C)c1O	38182628	WRVCUYYRMHTSJD-NTUHNPAUSA-N	405.237	4.823	10	40	HJCB	
CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(C)ccc4C)c3C)C(=O)N=C2S1	5157739	OICSQKOGIXEGCQ-DJCXZETLSA-N	405.527	4.740	10	40	HJCB	
Cc1ccc(S(=O)(=O)NNc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1	16310403	SCFGCHDYXGRNCL-UHFFFAOYSA-N	414.339	4.731	10	40	HJCB	
CC(C)n1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c2ccccc21	409249019	IWIBOJONRNFXOG-LFIBNONCSA-N	423.925	4.707	10	40	HJCB	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(F)cc1	13898675	FYWUAFPPSRBUOT-MOSHPQCFSA-N	422.843	4.520	10	40	HJCB	
COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1Cl	58883821	NWLNDAXAFYIDSO-YVLHZVERSA-N	402.277	4.866	10	40	HJCB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc21	223486100	UYXXNWGGZCFDBX-XKZIYDEJSA-N	415.562	4.867	10	40	HJCB	
CCCN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(C(=O)OCC)c3)c2C)C1=O	408967188	QIVZOGHGWHNMKB-UYRXBGFRSA-N	412.511	4.717	10	40	HJCB	
COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1[N+](=O)[O-]	409328268	QZCDWUOAEOWNHI-YVLHZVERSA-N	400.481	4.626	10	40	HJCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccc(C)cc2)C1=O	16739413	VAAPEQDSCFHVPH-BLAZZTHISA-N	408.548	4.781	10	40	HJCB	
Cc1cc(C)cc(OCCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c1	33390888	AHOSNOJVQUPSOJ-ZHZULCJRSA-N	413.564	4.982	10	40	HJCB	
CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(Br)o1	409042861	DCCZLUCDIATXMZ-QPJJXVBHSA-N	421.119	4.544	10	40	HJCB	
CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)S1	8951806	VXIBLCVIGYUNIL-MFOYZWKCSA-N	421.305	4.679	10	40	HJCB	
Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2ccc(Br)cc2)S1	8964453	DEYCZWSWZFEFDW-NVNXTCNLSA-N	417.284	4.538	10	40	HJCB	
CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1	222899419	ZQGGSRYQCZATOW-VXKWHMMOSA-N	406.555	4.572	10	40	HJCB	
CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NNc1ccccc1Cl	408528168	FJWKLRKWLOJEFG-UVTDQMKNSA-N	419.710	4.634	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1C(F)(F)F	408973825	CAOCRWZUJZFECJ-LGMDPLHJSA-N	401.384	4.973	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1	408991126	ZEJSDOWBJIZRHQ-MOSHPQCFSA-N	406.438	4.595	10	40	HJCB	
COc1ccc(OC)c(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)c1	409339053	RHVCXNWJKZUYLR-LICLKQGHSA-N	403.550	4.832	10	40	HJCB	
COc1ccc(N2CCOCC2)c(NC(=O)c2sc3ccccc3c2Cl)c1	4973751	GHWFPQDLWQLUOH-UHFFFAOYSA-N	402.903	4.652	10	40	HJCB	
COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	7184461	MXOAOVKCLMEADK-OCEACIFDSA-N	419.437	4.915	10	40	HJCB	
O=C1/C(=C/c2cccc(OCc3ccccc3)c2)SC(=S)N1C[C@@H]1CCCO1	9189331	ZIHJRTRGRRPMOU-KYYPIKSYSA-N	411.548	4.646	10	40	HJCB	
CCCOc1ccc(/C=C2\SC(N3CCN(c4ccc(C)cc4)CC3)=NC2=O)cc1	12524593	VTDBYPVVNWFFDH-XLNRJJMWSA-N	421.566	4.576	10	40	HJCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)c2ccccc2Cl)C1=O	26779820	MQEKZZUNGRTOPB-QKIOLIMFSA-N	414.939	4.833	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(Br)o1	195758478	ZQRKIERZKILVAC-KPKJPENVSA-N	410.065	4.611	10	40	HJCB	
Cc1cc2nc3s/c(=C\c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n3c2cc1C	408771802	JEZDFPUZXMDVCO-UUYOSTAYSA-N	417.509	4.620	10	40	HJCB	
COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1	409022470	PISLQNZFJIVJDT-HMAPJEAMSA-N	405.494	4.594	10	40	HJCB	
Cc1csc([C@@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)cc2C)n1	19570702	YQYKNZQIVTUGJS-OAQYLSRUSA-N	413.612	4.732	10	40	HJCB	
CC(=O)Nc1ccc(N2C(=O)/C(=C/C3=Cc4ccccc4O[C@H]3C)SC2=S)cc1	54361105	IGOWHUJHGIVAAB-RQZLXBNYSA-N	422.531	4.758	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(C)cc3)C2=O)c(OC)c1	408763648	GGXKDMMSADWAIT-HYARGMPZSA-N	416.452	4.986	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OC)SC2=S)cc1	1261167	QFNUVOWXIIDBCO-ATVHPVEESA-N	401.509	4.508	10	40	HJCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccc(O)cc1	260771886	LWNHALJQTXGXPR-KBJGYGKASA-N	404.539	4.784	10	40	HJCB	
CCCN(CCC)Cc1c(O)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12	2138616	XNOLVQXXOVSVEW-UHFFFAOYSA-N	419.477	4.894	10	40	HJCB	biogenic
COc1cc(C2=NN3[C@H](c4ccccn4)Oc4ccc(Cl)cc4[C@H]3C2)ccc1O	248147158	XNJWUZYLGPHULD-GCJKJVERSA-N	407.857	4.692	10	40	HJCB	
COc1ccc(/C=C2/SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)c(OC)c1	1071345	SBNUKZJDKFGFNO-PXLXIMEGSA-N	422.550	4.629	10	40	HJCB	
O=C1NC(=S)S/C1=C\c1cc([N+](=O)[O-])ccc1OCc1cccc2ccccc12	1181754	BHTQVPILAMOJRO-ODLFYWEKSA-N	422.487	4.816	10	40	HJCB	
CCCOc1ccc(/C=C2/SC(N3CCN(c4cccc(C)c4)CC3)=NC2=O)cc1	1801485	HNOOVUSQLCSLHO-OQKWZONESA-N	421.566	4.576	10	40	HJCB	
O=C1c2ccccc2N[C@@H](c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N1Cc1ccco1	5701822	MVSOKBUUMQMJAH-JOCHJYFZSA-N	418.453	4.555	10	40	HJCB	
COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)c1cccs1	36357309	CZROGXBYPCLOGQ-UHFFFAOYSA-N	418.522	4.769	10	40	HJCB	
CCN(CC)c1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(C)=O)cc1	58268798	SXWXALNNCNDPGV-NRFANRHFSA-N	414.347	4.993	10	40	HJCB	
C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NCc3ccc(N4CCCC4)cc3)cn2)C1	223952831	OGOZVSNBGMVGIK-OALUTQOASA-N	423.630	4.651	10	40	HJCB	
CC1=C[C@@H](/N=N/c2ccccc2[N+](=O)[O-])C(N)=C(/N=N/c2ccccc2[N+](=O)[O-])C1=N	253496355	SAYUAJXGSLFVFX-ZREPRBFISA-N	420.389	4.889	10	40	HJCB	
COC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CC[C@H](C(C)(C)C)C2	4614198	BQUYVTSRZJNFJW-IHRRRGAJSA-N	421.559	4.515	10	40	HJCB	
O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2cccnc2)SC1=S	6615347	WSSSRIBCZXBPSW-SAPNQHFASA-N	406.573	4.878	10	40	HJCB	
CC(C)n1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3)C2=O)c2ccccc21	1416643	GVMUQOYYHPDUHZ-XDHOZWIPSA-N	421.547	4.768	10	40	HJCB	
CCCCNC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S	4745351	HRUISLMWUKEGBR-SDXDJHTJSA-N	404.601	4.673	10	40	HJCB	
CCc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S	5791388	PGNNQMMZLISAJW-XMHGGMMESA-N	410.564	4.787	10	40	HJCB	
COc1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1	7496651	WHTZWGVCAJAFBF-UHFFFAOYSA-N	412.873	4.698	10	40	HJCB	
Cc1cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(C)n1-c1cccc2ccccc12	9310490	YLBFALHLSWKXIM-YBFXNURJSA-N	422.531	4.533	10	40	HJCB	
Cc1noc2c1[C@H](c1ccc(O)c(O)c1)C1=C(O)C[C@@H](c3ccc(O)cc3)CC1=N2	102730451	YDGGCGHWUOAUFB-QKKBWIMNSA-N	404.422	4.708	10	40	HJCB	
Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccc(O)cc1	222831047	XQZIWRIDWXGGAV-FGZHOGPDSA-N	406.555	4.576	10	40	HJCB	
COC(CNc1cc(Nc2ccccc2)c2c3c(onc13)-c1ccccc1C2=O)OC	2293302	ICEBJFPHZGRLBA-UHFFFAOYSA-N	415.449	4.814	10	40	HJCB	
O=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC(=S)N1C[C@@H]1CCCO1	4832784	LWYGJZUFHICPDM-HAKPAVFJSA-N	405.928	4.980	10	40	HJCB	
O=C1NC(=S)S/C1=C/c1ccc(OCc2ccccc2)c(Br)c1	103420944	CIWPODLRIKWXCY-OQLLNIDSSA-N	406.326	4.517	10	40	HJCB	
CC1CCN(c2ccc([C@H](C)NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1	217872482	HNTJQLMZNZYICW-HNNXBMFYSA-N	401.894	4.976	10	40	HJCB	
CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(/N=N/c3ccccc3)cc1)C2=O	4469386	YQSCYTSBRGSXEZ-CYYJNZCTSA-N	419.485	4.541	10	40	HJCB	
CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1	9188362	UQESAYIYLMHHMA-WJDWOHSUSA-N	419.369	4.921	10	40	HJCB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2O)n2nc(-c3ccccc3)nc2N1	13027990	TZCMHRKXMMSVCW-QFIPXVFZSA-N	423.476	4.578	10	40	HJCB	
CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OC(C)C	409203785	ZFQUAZSETQLXFY-XDHOZWIPSA-N	416.568	4.828	10	40	HJCB	
O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1	857516	LRALDIZTMOZNID-UHFFFAOYSA-N	417.255	4.853	10	40	HJCB	
Cc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3Cl)C(=S)N=C2O)cc(C)c1O	38187745	UTVJMCZQRYWKQY-XYOKQWHBSA-N	421.305	4.987	10	40	HJCB	
Cc1ccc(-n2c(C)cc(/C=c3/sc4nc5cc(C)c(C)cc5n4c3=O)c2C)cc1	408740414	KEBMSCYGKVRNJZ-YDZHTSKRSA-N	413.546	4.790	10	40	HJCB	
Cc1cccc(N2NC(=O)/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C2=O)c1	6924259	LMDRFKGWKFFAAC-PDGQHHTCSA-N	412.367	4.735	10	40	HJCB	
COc1ccc(C)cc1-n1c(C)cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c1C	20037374	HJWNWFOZTKHBNP-HJTUMBPSSA-N	406.511	4.578	10	40	HJCB	
O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(-c2ccc(Cl)s2)on1	89787881	HRIHSDRLMDXKAB-UHFFFAOYSA-N	419.959	4.540	10	40	HJCB	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1ccc(Cl)cc1	103917948	PQQXTRWRDSMKDF-JWGURIENSA-N	411.933	4.958	10	40	HJCB	
COc1ccccc1C1=N/C(=C/c2ccc(C(=O)O)cc2)C(=O)N1c1ccc(C)cc1	408844018	OHIMUYJIGWDULH-RCCKNPSSSA-N	412.445	4.536	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)N=C2c2ccc(C)cc2)cc1	408762585	FBKPNYXNBCFAAP-PXLXIMEGSA-N	413.433	4.746	10	40	HJCB	
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc(F)c4)o3)C(=O)NC2=S)c1C	409014358	XMBFWEVVSULYTC-LDADJPATSA-N	420.465	4.534	10	40	HJCB	
Oc1ccccc1CN(C[C@H](O)COCc1ccccc1Cl)C1CCCCC1	6082940	BXSMBQCDJIYWMS-NRFANRHFSA-N	403.950	4.758	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(SC)cc1	408789312	IWKYPEAREGUNNK-ZHZULCJRSA-N	409.507	4.684	10	40	HJCB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c2C)cc1	409081513	PSLODOSZNOYOPY-SCWSXOCZSA-N	412.580	4.783	10	40	HJCB	
Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(F)cc1	409111754	BXYUYLAZPHPXDJ-RGVLZGJSSA-N	409.848	4.984	10	40	HJCB	
O=C1c2ccccc2-c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c21	3997650	FXRODXJGLHGQFW-UHFFFAOYSA-N	403.381	4.718	10	40	HJCB	
CCN1C(=O)[C@H](Cc2ccc(OCc3cccc(F)c3)c(Cl)c2)SC1=S	6952519	QTJNTJSKYDMEKM-KRWDZBQOSA-N	409.935	4.849	10	40	HJCB	
COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	33675943	QTYFQRGXRQVMNL-KQWNVCNZSA-N	417.505	4.881	10	40	HJCB	
CCCC(=O)c1cc2c(oc1=O)c(Br)cc1oc(C)c(C(=O)OCC)c12	40217069	DBSXIQWNEBDGPG-UHFFFAOYSA-N	421.243	4.770	10	40	HJCB	
Cc1cc(CNC2CCN(C(=O)C3CC3)CC2)c(C)n1-c1cccc2ccccc12	48235997	QHGIPTMIKIVUSM-UHFFFAOYSA-N	401.554	4.738	10	40	HJCB	
CCCOC(=O)c1c(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)sc2c1CCCC2	2801776	SBKAVKFUPLSCTI-CVEARBPZSA-N	419.543	4.579	10	40	HJCB	
O=C1/C(=C2/C(O)=Nc3ccc([N+](=O)[O-])cc32)SC(=S)N1c1ccc(Cl)cc1	4289872	QZBCWOCYNPTDEU-YPKPFQOOSA-N	417.855	4.626	10	40	HJCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccccc1Cl	8765620	LAFNLEIFSSTYJU-WJDWOHSUSA-N	420.918	4.709	10	40	HJCB	
COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	14010086	KTNWIECYADWGSB-SXGWCWSVSA-N	419.308	4.703	10	40	HJCB	
CCOC(=O)c1cccc2c1N[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1CC=C[C@@H]21	408736150	INTNRJSYMIQPCK-XFQAVAEZSA-N	409.482	4.716	10	40	HJCB	
COc1ccc(S(=O)(=O)Nc2ccc(O)c(-n3c(C)c(C)c4ccccc43)c2)cc1	16779674	IKSFGGHYQPUBHV-UHFFFAOYSA-N	422.506	4.762	10	40	HJCB	
Cc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCc3ccccc32)cc1C	17052540	HKQIXFDROUFFBN-AREMUKBSSA-N	413.565	4.903	10	40	HJCB	
CCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S	44928841	KXQATLCFFYOEKX-KWZJRMENSA-N	405.472	4.540	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C/c3ccc4ncccc4c3)SC2=S)c(OC)c1	51330833	HTDQHQSRLMRJHD-ODLFYWEKSA-N	408.504	4.658	10	40	HJCB	
CCN1/C(=C2\SC(=S)N(Cc3ccccc3)C2=O)C=Cc2cc(OC)ccc21	57452066	NFTAXEMAARPDIL-VXPUYCOJSA-N	408.548	4.820	10	40	HJCB	
CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccccc12	100422897	RKNTVNNKKZBTGT-STZFKDTASA-N	415.522	4.606	10	40	HJCB	
CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1ccccc1	100525256	DCEWLGWTZTTZSD-SIUCFOQUSA-N	406.427	4.593	10	40	HJCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccc1O	222830908	WZVBTTXSDJRTDR-FCHUYYIVSA-N	406.555	4.576	10	40	HJCB	
CC[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	4976577	VKYUANZNBXOVFO-UMWKZLPKSA-N	408.614	4.521	10	40	HJCB	
CC(/C=C1\SC(=S)N(CC(=O)Nc2ccc(F)cc2)C1=O)=C\c1ccccc1	28464707	BVJVPYSZNWIRLB-UJUKKVGJSA-N	412.511	4.612	10	40	HJCB	
CC(=O)NC1=NC(=O)/C(=C/c2cccc(OCc3cccc4ccccc34)c2)S1	408765577	YTORIIFTWUFXFH-BKUYFWCQSA-N	402.475	4.525	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1OCC	408997184	LQHGWRHKWQXXJD-QNGOZBTKSA-N	405.494	4.969	10	40	HJCB	
O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1-c1cccc(C(=O)O)c1	3634701	ZKPMKOLIBHAKHG-UHFFFAOYSA-N	414.255	4.622	10	40	HJCB	
CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)ccc1OC(=O)c1ccccc1	4675672	NDVWJUBUNCJFHX-QGOAFFKASA-N	413.520	4.526	10	40	HJCB	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3ccccc3)on2)cc1	21524134	YUWWPVDZQLVWNT-UHFFFAOYSA-N	401.466	4.843	10	40	HJCB	
CCCOc1ccc(/C=C2/C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)cc1OCC	59861497	ZJEGSJPNVVZOQE-QGOAFFKASA-N	422.481	4.998	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(F)cc3)C2=O)c(OC)c1	408757291	YEFLKTKWRGHGDR-HYARGMPZSA-N	416.452	4.986	10	40	HJCB	
CCc1ccc(-c2ccc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)o2)cc1	5032709	IEJSHEDGYPKAIT-SFQUDFHCSA-N	401.509	4.575	10	40	HJCB	
COc1ccc(CNC(=O)[C@H](C)Nc2ccc(Nc3ccccc3OC)cc2)cc1	5694354	YZTMOFKSCCBCMK-KRWDZBQOSA-N	405.498	4.564	10	40	HJCB	
COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)[C@@H](OC)c2ccccc2)c1O	9260527	MQDFEXNUPXUNNQ-GCJKJVERSA-N	422.506	4.528	10	40	HJCB	
Cc1ccc(/C=C2\SC(=S)N(CNc3cccc(Br)c3)C2=O)o1	12462485	ABHXTLVSQALCPM-ZSOIEALJSA-N	409.330	4.621	10	40	HJCB	
COc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1OCc1ccc(Cl)cc1	59418091	RPMKZYLHQPNAFV-LICLKQGHSA-N	405.928	4.759	10	40	HJCB	
CCN(CCCNC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccc(OC)cc1	224982409	UBOPATIHEJLZJL-UHFFFAOYSA-N	402.538	4.938	10	40	HJCB	
CCCCOc1ccc(N2CCn3c(nc4cc(NC(=O)OCC)ccc43)C2)cc1	13735270	ULDGUGQHUCUENJ-UHFFFAOYSA-N	408.502	4.804	10	40	HJCB	
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC(=S)N1c1cccc([N+](=O)[O-])c1	23402699	XIZLVRCUKBVCTK-AUWJEWJLSA-N	421.843	4.562	10	40	HJCB	
Cc1ccc(SCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)cc1	33396967	DFINMYXGUYBUHJ-AQTBWJFISA-N	401.578	4.997	10	40	HJCB	
CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1ccccc1	112126074	HOHAOTNWLIJLNY-PGMHBOJBSA-N	404.539	4.905	10	40	HJCB	
CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCCC1	222595766	ULLNUJHLWSUSCZ-WQTXXOFMSA-N	408.571	4.670	10	40	HJCB	
CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c1C	225695875	UEICZQMAXWUQLT-KRWDZBQOSA-N	411.571	4.820	10	40	HJCB	
COc1ccc(C2=N/C(=C/c3ccccc3OC)C(=O)N2c2ccc(OC)cc2)cc1	408997594	RYZVYBBQNDMXRE-CJLVFECKSA-N	414.461	4.547	10	40	HJCB	
CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C1=O	409018390	WQABCCDZGVUBEJ-HCZVKUGISA-N	412.511	4.716	10	40	HJCB	
CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc5ccccc45)c3C)C(=O)N=C2S1	4468506	AYCLTAUQBPLECA-DGIAZZNKSA-N	413.506	4.886	10	40	HJCB	
Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3c(CN(C)C)c(O)ccc3c2=O)c1	19791750	KVNLOGSORZEQDB-UHFFFAOYSA-N	407.388	4.988	10	40	HJCB	biogenic
CC(C)N1C(=O)/C(=C/c2nc3ccccc3c(=O)n2Cc2ccccc2)c2ccccc21	31829173	KAOZUCMNTNKEJD-CJLVFECKSA-N	421.500	4.740	10	40	HJCB	
CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(N(CC)CC)cc2)CC1	33728708	YDDRBTLYDVEVGV-UHFFFAOYSA-N	407.602	4.794	10	40	HJCB	
Cc1ccnc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)c1	260766009	IQXRNQKYNDXZHK-URZJWIJPSA-N	403.555	4.782	10	40	HJCB	
COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1C	260798407	SRSLOWNXTGSDIN-LPHOPBHVSA-N	416.587	4.588	10	40	HJCB	
CCCC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S	12274222	MUZAHBYNLRNZDV-VUVCFOEZSA-N	419.499	4.930	10	40	HJCB	
C[C@@H](COc1ccccc1)COc1ccc(Cl)cc1/C=C1\SC(=S)NC1=O	12383569	BSPFHQNFSXAHSY-VQIMKDEXSA-N	419.955	4.923	10	40	HJCB	
COc1cc(Br)cc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)c1O	15947573	KIMZEGRPPHVYOX-VPTHRUTESA-N	423.332	4.779	10	40	HJCB	
Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)cc1N1CCCC1=O	225696655	JUHJVQDEYIWXMX-GOSISDBHSA-N	422.598	4.770	10	40	HJCB	
C[C@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccc4c(c3)OCCO4)cc2)C1	260735422	ICOMZXZUWOESNX-DLBZAZTESA-N	411.571	4.742	10	40	HJCB	
Cc1ccc(-c2nnc(SCC(=O)c3ccc(O)c(O)c3)n2-c2ccccc2)cc1	1274665	WAEFMWFDIQGYNB-UHFFFAOYSA-N	417.490	4.629	10	40	HJCB	
COc1ccc(Br)cc1[C@H]1Nc2ccc(C(=O)O)cc2[C@H]2C=CC[C@@H]21	4959440	NZGRRGAZVGOZOV-NJSLBKSFSA-N	400.272	4.982	10	40	HJCB	
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2cccc(Cl)c2)C1=O	5170475	GYALALNNFWTMLD-OVCLIPMQSA-N	406.872	4.663	10	40	HJCB	
CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)S1	8951843	LQYHWCLAFWJJST-MFOYZWKCSA-N	421.305	4.679	10	40	HJCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c1C	222837757	NGHKLLBLRWFRID-NHCUHLMSSA-N	405.571	4.573	10	40	HJCB	
COc1cc(Br)c(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1OC	2737663	FCDSBCFJAVVTNL-MFOYZWKCSA-N	418.312	4.836	10	40	HJCB	
C[C@H](c1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1ccc(N2CCOCC2)cc1	9740396	ZHQDTQOHYCVJHY-KBMIEXCESA-N	413.521	4.851	10	40	HJCB	
COc1cc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccnc2)ccc1O	10215509	VDSSTGSQJQVVEM-XMSQKQJNSA-N	407.857	4.692	10	40	HJCB	
C[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(N2CCOCC2)cc1	140006175	VVSVEVJYTGZHAA-CQSZACIVSA-N	409.477	4.590	10	40	HJCB	
CCCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)SC1=S	409351534	UUYUBONHUMPDPX-AQTBWJFISA-N	413.520	4.526	10	40	HJCB	
CN1CCCc2cc([C@H](CNC(=O)c3cccc(Cl)c3)N3CCCCC3)ccc21	9137788	SHOWQSRDMDAMQY-QHCPKHFHSA-N	411.977	4.679	10	40	HJCB	
Cc1nnc(SCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)s1	9508294	DUABXUIVTMUJEG-UHFFFAOYSA-N	422.373	4.992	10	40	HJCB	
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3cccs3)on2)cc1	15669799	YVFFWDRCYLDVCG-UHFFFAOYSA-N	407.495	4.905	10	40	HJCB	
COc1ccc(NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)cc1Cl	28276578	ZTOYXCWYHOMHRB-UHFFFAOYSA-N	412.873	4.780	10	40	HJCB	
CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1	32933586	SFSDWADAZQOLIY-PDGQHHTCSA-N	403.394	4.675	10	40	HJCB	
Oc1c([C@H](Nc2ccc(Br)cn2)c2cccnc2)ccc2cccnc12	46085526	AGXNZFPEWQEYRX-GOSISDBHSA-N	407.271	4.694	10	40	HJCB	
Oc1ccccc1C1=NN2[C@H](c3cccnc3)Oc3ccc(Br)cc3[C@H]2C1	102907298	ZQQMNRDIMDNTPA-NQIIRXRSSA-N	422.282	4.792	10	40	HJCB	
O=C(CCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccc1	2293452	JSKFIWGVGSFGCQ-VBKFSLOCSA-N	402.928	4.570	10	40	HJCB	
COc1ccc(N2COc3ccc4c(=O)c(-c5ccccc5)coc4c3C2)c(OC)c1	9420916	TYIGFTGKPKYQOW-UHFFFAOYSA-N	415.445	4.834	10	40	HJCB	biogenic
COc1cc2c(cc1OC)CN(C(=O)/C=C/c1ccc(N3CCCCCC3)cc1)CC2	12689149	FEJLAMOIOUMMEM-FMIVXFBMSA-N	420.553	4.682	10	40	HJCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3cccc(C)c3)C2=O)cc1	408763318	OZMWUECWSZSVDJ-PXLXIMEGSA-N	414.436	4.755	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1	1086298	CQVFXLFXXKUFKZ-GDNBJRDFSA-N	406.326	4.864	10	40	HJCB	
COc1ccccc1OCCn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21	6136032	STAFJQWFZBYTEU-MOSHPQCFSA-N	424.547	4.560	10	40	HJCB	
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(F)c(Cl)c1	8451354	UXWKCLJWZPVKPA-SRZZPIQSSA-N	423.875	4.980	10	40	HJCB	
CCOc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C2=O)c1	9164768	DBPGPVGGBOATJV-UYRXBGFRSA-N	420.396	4.991	10	40	HJCB	
CC1CCN(c2ccc(/C=C/c3cc(C(F)(F)F)nc(O)n3)cc2[N+](=O)[O-])CC1	9667273	QKRPZCMDFPKJJF-DUXPYHPUSA-N	408.380	4.516	10	40	HJCB	
COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1	225664333	RREHEJJICIKWJN-QGZVFWFLSA-N	411.571	4.820	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)N=C2c2ccccc2)cc1	408763057	RAGFTCKVGOBNEG-HKOYGPOVSA-N	411.505	4.986	10	40	HJCB	
CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(SC)SC3=NC2=O)c1C	9235844	AWPNGGJPAKQXSK-JUVBEIPNSA-N	423.567	4.596	10	40	HJCB	
COc1ccc(CCN2C(=O)/C(=C/C3=Cc4ccccc4O[C@@H]3C)SC2=S)cc1	16733490	UPBVZJHIECCWCW-XWCAUFEOSA-N	423.559	4.846	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4nccn4C)cc3)SC2=S)cc1	98008597	UYAZEESKFFDFQW-UYRXBGFRSA-N	421.547	4.713	10	40	HJCB	
Cc1ccnc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)c2C)c1	222837555	UYXIRQGGTQRJOQ-YADHBBJMSA-N	405.571	4.573	10	40	HJCB	
COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1F	408694654	LJJRXUYCQAJQQV-UHFFFAOYSA-N	419.861	4.520	10	40	HJCB	
O=C1/C(=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(Br)cc1	409338774	ASFVWPFYVFGFIR-NTEUORMPSA-N	421.297	4.763	10	40	HJCB	
Cc1oc2ccc(O)c(CN3CCC[C@@H](C)C3)c2c1C(=O)OCCOc1ccccc1	5182588	QFIQTLSFSRSEMM-QGZVFWFLSA-N	423.509	4.915	10	40	HJCB	
O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S	12032594	RTCLCTZDAZPLDH-MZLJFPOFSA-N	407.875	4.506	10	40	HJCB	
CCc1ccccc1-n1c(C)cc(/C=C2/C(=O)N=C(O)N(c3ccccc3)C2=O)c1C	13801178	UOTODCZVOQQUCC-QNGOZBTKSA-N	413.477	4.527	10	40	HJCB	
CCC1=NN2C(=N)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)N=C2S1	1302097	FHPRLWQQOAJOHH-YIFJCWOOSA-N	413.506	4.719	10	40	HJCB	
COc1ccc(-c2c3oc4c(O)c(O)ccc4c3nc3c2c(O)nn3C(C)C)c(F)c1	95476169	GRNQREXPBMNCFM-UHFFFAOYSA-N	423.400	4.843	10	40	HJCB	
CCOc1cc(N(CC)CC)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21	222604663	ZCDOPRAYMMKXIS-WQTXXOFMSA-N	410.587	4.916	10	40	HJCB	
Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1-c1ccc(O)cc1	222921625	JTCJCOPHYOZPEO-PKTZIBPZSA-N	420.582	4.823	10	40	HJCB	
CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(C)ccc4C)c3C)C(=O)N=C2S1	9158538	JJKLUGCDVDADGH-WZBMNHFVSA-N	423.567	4.651	10	40	HJCB	
Cc1ccnc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4cccc(Cl)c4)C3=O)c2C)c1	17877040	BAROFUHPEKIBSF-NDENLUEZSA-N	420.900	4.544	10	40	HJCB	
Cc1ccc(-n2c(C)cc(/C=C3\SC(NC(=O)c4ccccc4)=NC3=O)c2C)cc1	409146566	URKBLGQRCBQVRL-STZFKDTASA-N	415.518	4.803	10	40	HJCB	
Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1N1CCOCC1	409191849	ORWKWUIGDYCPPB-CPNJWEJPSA-N	414.914	4.726	10	40	HJCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccccn1	409247287	MCBNIANZAHJVQY-UNOMPAQXSA-N	407.470	4.865	10	40	HJCB	
Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1	1265329	XEMPPVGHDOEPCF-VBKFSLOCSA-N	402.566	4.677	10	40	HJCB	
Cc1oc2c(CN3CCCC3)c(O)ccc2c(=O)c1-c1ccc(Br)cc1	5194613	GRMNPIMXTDZORK-UHFFFAOYSA-N	414.299	4.832	10	40	HJCB	biogenic
CCOc1cccc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(=O)OC)c1O	6964929	WAMPPHCQAJCILW-ZHZULCJRSA-N	421.493	4.792	10	40	HJCB	
CCSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N=C2S1	9274016	LRMKWPNDPCZCCZ-WBIXSPHCSA-N	423.567	4.732	10	40	HJCB	
Cc1cccc(N2C(=O)/C(=C/c3cc(F)c(N4CCCC4)cc3C)C(O)=NC2=S)c1	33498698	VSYFSLHHFZQYFN-LDADJPATSA-N	423.513	4.714	10	40	HJCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C	222972981	NMZICGJSIYTZSE-FGZHOGPDSA-N	419.598	4.965	10	40	HJCB	
CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	408903852	AJISSWSKLLWVSL-XQNSMLJCSA-N	411.461	4.510	10	40	HJCB	
O=C(NN1C(=O)/C(=C/c2cccs2)SC1=S)c1ccc(Cl)cc1Cl	2258340	OXELQTBYJNOMOP-GHXNOFRVSA-N	415.348	4.601	10	40	HJCB	
CC(=O)Nc1ccc(N2C(=O)/C(=C\C3=Cc4ccccc4O[C@@H]3C)SC2=S)cc1	13689975	IGOWHUJHGIVAAB-HMHKGCENSA-N	422.531	4.758	10	40	HJCB	
CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1	260578992	ZDCPZWKXUVZTAL-IPJJNNNSSA-N	410.558	4.966	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(OC)c1OC	408974654	GDFRIYBBPXUWKG-ZHZULCJRSA-N	421.493	4.588	10	40	HJCB	
CC(C)c1ccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1	5374238	SHOTYJRRTHYCQY-UZNZLNSGSA-N	411.548	4.707	10	40	HJCB	
CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccccc2)S1	409082575	QGBKSDFOXFGPKP-LZYBPNLTSA-N	421.305	4.679	10	40	HJCB	
O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cccc([N+](=O)[O-])c1	1164368	LMGVKNTUJVZKDK-HKWRFOASSA-N	407.495	4.520	10	40	HJCB	
COc1ccc(CN2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c(O)c1	12185761	YGDPKRDUPAIFOA-FQEVSTJZSA-N	422.481	4.902	10	40	HJCB	
COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCCc2cccs2)cc1	17091159	GTBQPJOPGDLZAT-XLNRJJMWSA-N	417.534	4.614	10	40	HJCB	
CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1ccc(Cl)c([N+](=O)[O-])c1	408529447	JQTPOWSVEVCRMI-ZROIWOOFSA-N	405.241	4.929	10	40	HJCB	
Cc1cc(CN[C@H](C)c2ccc(-n3ccnc3)cc2)c(C)n1-c1ccc2c(c1)OCO2	8720012	FWHNWKCHDNILSU-GOSISDBHSA-N	414.509	4.859	10	40	HJCB	
Cc1cccnc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c1C	260778224	RLBWTCVAASVFEX-TYCQWZJGSA-N	403.555	4.782	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2)cc1	408759548	GVCOCJQJUFQTOK-KGENOOAVSA-N	412.445	4.649	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)cc1	6078805	QFNUVOWXIIDBCO-SFQUDFHCSA-N	401.509	4.508	10	40	HJCB	
Cc1cccc(C)c1-n1c(C)cc(/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)c1C	13686532	KTJYMAUETRCRIG-NDENLUEZSA-N	417.465	4.806	10	40	HJCB	
COc1cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc(Br)c1O	24925978	DKZSOUXAIRFHPI-DHDCSXOGSA-N	419.300	4.554	10	40	HJCB	
CC(C)N1CCc2cc(CN3CCC[C@@H]3c3cncc(Nc4ccccn4)n3)ccc21	72376427	HGZXAEIRGZXWLW-HSZRJFAPSA-N	414.557	4.723	10	40	HJCB	
CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(OC)c3)SC2=S)cc1	409329561	FXNHMXJCXONWOM-YBEGLDIGSA-N	421.927	4.859	10	40	HJCB	
O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	409330341	LGHPCBIIROBNFG-AQTBWJFISA-N	411.508	4.601	10	40	HJCB	
CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C2CCCCC2)SC1=S	4498739	UFUJLTIUSBJLKB-FBMGVBCBSA-N	406.598	4.989	10	40	HJCB	
O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)c1ccc(Cl)cc1	5214653	XCDYJLBAQJLQAF-ZROIWOOFSA-N	409.319	4.540	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1	58883580	VOXORQDPAXIVQR-QNGOZBTKSA-N	405.494	4.870	10	40	HJCB	
Cc1cccc(-n2c(C)cc(/C=c3\sc4nc5cc(C)c(C)cc5n4c3=O)c2C)c1	408759362	CTIGZXJBXOZSAD-QRVIBDJDSA-N	413.546	4.790	10	40	HJCB	
CCc1ccc(N2C(=O)/C(=C/c3cc(C(C)C)c(OC)cc3C)C(=O)NC2=S)cc1	409377002	DXMZYUBEHCXZIE-DEDYPNTBSA-N	422.550	4.521	10	40	HJCB	
O=C1/C(=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccc(Br)cc1	3140900	NPUDOPZBRYLMGW-NTEUORMPSA-N	421.297	4.763	10	40	HJCB	
COc1ccc(-c2cc(=O)oc3c(CNCCc4ccc(F)cc4)c(O)ccc23)cc1	20621610	AZFTTWHVDFVAOK-UHFFFAOYSA-N	419.452	4.646	10	40	HJCB	
CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1ccccc1Cl	103917879	SGABBRSZVSVENO-ZHZULCJRSA-N	412.877	4.815	10	40	HJCB	
COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccc(OC)cc1	409022591	BUZDISQNSOLUAV-LSCVHKIXSA-N	418.276	4.879	10	40	HJCB	
COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(N4CCCCC4)cc3)on2)cc1	12401864	NPFTZRRQADIVRK-KRWDZBQOSA-N	405.498	4.832	10	40	HJCB	
CCCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(OC)c4)c3C)C(=O)N=C2S1	33738780	XESDPSROSOINIW-IKTSRZDXSA-N	421.526	4.522	10	40	HJCB	
O=C1/C(=C\Nc2cccc(F)c2)C(C(F)(F)F)=NN1c1nc2ccccc2s1	100418492	UMTLWDHWXVSACI-XFXZXTDPSA-N	406.364	4.696	10	40	HJCB	
Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccn1	225008872	GHEHWXTYSPIHOP-GOTSBHOMSA-N	417.582	4.799	10	40	HJCB	
CC1=C[C@H](/N=N/c2ccccc2[N+](=O)[O-])C(N)=C(/N=N/c2ccccc2[N+](=O)[O-])C1=N	253496354	SAYUAJXGSLFVFX-FRWUXSMXSA-N	420.389	4.889	10	40	HJCB	
COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c(C)c1	260764760	MCUMTZRAGQQQFJ-QFBILLFUSA-N	416.587	4.588	10	40	HJCB	
CCOc1cc(C)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1C(C)C	409083987	WZKSWNONSRNKJW-VXIUPONVSA-N	405.585	4.897	10	40	HJCB	
Cc1cccc(NC2=NC(=O)/C(=C\c3ccccc3I)S2)c1	13137596	ILGVHWZDVFYXRG-XNTDXEJSSA-N	420.275	4.682	10	40	HJCB	
O=C1/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)SC(=S)N1Cc1ccccc1	16479737	KZSDEJMYQUURRP-UYRXBGFRSA-N	421.503	4.787	10	40	HJCB	
CCOc1ccccc1Oc1c(C(F)(F)F)oc2c(CN(C)C)c(O)ccc2c1=O	19793157	HXPDTTSBRMMNGL-UHFFFAOYSA-N	423.387	4.770	10	40	HJCB	biogenic
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C1/SC(NC2CCCC2)=NC1=O	48265291	AGDJWQCKGJCUTH-YBFXNURJSA-N	414.962	4.704	10	40	HJCB	
COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1	58884063	PSWOYBUTTKFIBU-MOSHPQCFSA-N	406.438	4.595	10	40	HJCB	
COC(=O)c1ccc(/C=C2/N=C(c3ccccc3Cl)N(c3ccccc3)C2=O)cc1	408753143	ICNDSSMFZFMIOB-RCCKNPSSSA-N	416.864	4.961	10	40	HJCB	
CCOc1ccc(Cl)cc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O	409340008	OLJRYPGYOHJBQF-CAOOACKPSA-N	419.911	4.873	10	40	HJCB	
COC(=O)c1cccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1C	260737509	LFZOUJDNHSORRJ-INIZCTEOSA-N	411.571	4.505	10	40	HJCB	
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(Cl)c1OC	408973083	RUINYNUDPDBNRI-JYRVWZFOSA-N	410.779	4.706	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(OC)cc1	409023249	VXTZBWSPQCWQQD-WQRHYEAKSA-N	417.383	4.591	10	40	HJCB	
COc1cc(OC)c(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1Br	15226943	PUWSLDOKPQMGOS-OVCLIPMQSA-N	401.256	4.756	10	40	HJCB	
CC(C)(C)n1cccc1/C=C1\C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O	31944923	MZHOULXMJXFBOC-PTNGSMBKSA-N	416.275	4.512	10	40	HJCB	
Cn1cccc1/C=C1\SC(=S)N(CCCCCCCCCCC(=O)O)C1=O	35040170	PMSALFUNFHRJRT-ICFOKQHNSA-N	408.589	4.822	10	40	HJCB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(Oc2ccccc2)c1	4209221	NGINYNIDBPCKCW-XSFVSMFZSA-N	418.836	4.799	10	40	HJCB	
CN(C)c1ccc(/C=C2\SC(=S)N(Nc3nc4ccccc4s3)C2=O)cc1	5586295	WYQJHGXEZISRDC-WJDWOHSUSA-N	412.565	4.591	10	40	HJCB	
COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1cccc(Oc2ccccc2)c1	6348324	KISVUKNJEFQBDH-JCMHNJIXSA-N	415.445	4.945	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C/c3ccc(NC(C)=O)cc3)SC2=S)cc1Cl	60510583	LYMGUADMJCLPAF-MFOYZWKCSA-N	418.927	4.713	10	40	HJCB	
CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1	219358812	LNWQRIYADVYMFJ-IMWIBFENSA-N	410.558	4.966	10	40	HJCB	
C[C@@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccc(N2CCCCC2)cc1	225666261	XOXCZLCXWNRZMO-GOSISDBHSA-N	422.598	4.851	10	40	HJCB	
CC(=O)NC1=NC(=O)/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)S1	409025958	BUTDEJCENVEIGQ-MTJSOVHGSA-N	420.465	4.664	10	40	HJCB	
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(Cl)cc1	1266894	TXJBZBZBRUQCCN-RVDMUPIBSA-N	406.916	4.553	10	40	HJCB	
CCc1cccc(C)c1NC(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	3286289	PPKCHCVAFURPBC-UHFFFAOYSA-N	408.473	4.900	10	40	HJCB	
COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)c1	3768770	VNWZGXKYCXLTFE-RQZCQDPDSA-N	421.927	4.772	10	40	HJCB	
CCOC(=O)c1ccc(-n2c(C)cc([C@H]3NN=C(c4ccccc4)S3)c2C)cc1	6630647	QJLIVHZFUGWOLA-QFIPXVFZSA-N	405.523	4.968	10	40	HJCB	
O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)c1ccc(O)c(O)c1	9849109	ZTDZCCJTTSPQKF-UHFFFAOYSA-N	412.414	4.610	10	40	HJCB	
O=C(O)c1cc(Br)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2	16399930	HXFIPOIXYWOGRT-KEYYUXOJSA-N	415.243	4.882	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccc(C)cc2)cc1	408994761	IPSUVUBWRAJOCC-PXLXIMEGSA-N	412.445	4.536	10	40	HJCB	
C[C@H]1CCC[C@H](C)N1C(=O)Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2ccccc21	1102740	YVQULGCTJAIVKM-QVEFSTLPSA-N	413.521	4.924	10	40	HJCB	
Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S	2597598	KEQUKFDTGZAMNS-VBKFSLOCSA-N	402.566	4.677	10	40	HJCB	
COc1ccc(NC2=NC(=O)/C(=C/c3ccc(Br)cc3)S2)c(OC)c1	8964454	VDTMVRQHRKARBA-SXGWCWSVSA-N	419.300	4.549	10	40	HJCB	
COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl	58883980	PEVHPGMTGWRMAD-MFOYZWKCSA-N	418.276	4.879	10	40	HJCB	
CC(C)n1nc(O)c2c(-c3ccc(F)c(F)c3)c3oc4c(O)c(O)ccc4c3nc21	95477230	NLCSWSQUBSWXDS-UHFFFAOYSA-N	411.364	4.974	10	40	HJCB	
COc1ccc(CN/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2c2ccccc2)cc1	112286959	KUHSJIMBDKCLCU-QJOMJCCJSA-N	415.468	4.649	10	40	HJCB	
CC(=O)[C@@H]1[C@@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12	2425085	WRPSQJOSQVCKJA-UBFVSLLYSA-N	419.480	4.709	10	40	HJCB	
CN1CCc2cc([C@H](CNC(=O)c3cc(Cl)ccc3Cl)N3CCCC3)ccc21	8963300	KYZYTZXEHOHWKA-NRFANRHFSA-N	418.368	4.553	10	40	HJCB	
O=C(O)c1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(F)cc3)SC2=S)c1	20210273	KBFDUDIYSTXRHM-PDGQHHTCSA-N	424.478	4.720	10	40	HJCB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)o1	33314307	PUKOLCKRRALSSF-QGOAFFKASA-N	403.394	4.670	10	40	HJCB	
O=C(O)/C(=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Sc1nc2ccccc2[nH]1	408633224	JCTPKNOQPPECEK-CPNJWEJPSA-N	424.482	4.679	10	40	HJCB	
CCCSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N1	408989452	KTLMNWDNXWWSAX-OAQYLSRUSA-N	408.571	4.809	10	40	HJCB	
CC(C)CN1C(=O)[C@H](Cc2ccc(OCc3ccccc3F)cc2)SC1=S	6326113	GQJWZMNKCVTTBA-IBGZPJMESA-N	403.544	4.832	10	40	HJCB	
O=S(=O)(Nc1nccs1)c1ccc(/N=N/c2ccc(O)c3ncccc23)cc1	17778321	IQEOBFBZYOOSSI-QURGRASLSA-N	411.468	4.613	10	40	HJCB	
CN1C(=O)/C(=C/c2ccc(OCCOc3ccccc3Cl)cc2)SC1=S	41077633	FPYDNDDUPIJEPB-ATVHPVEESA-N	405.928	4.629	10	40	HJCB	
CC(=O)NC1=NC(=O)/C(=C/c2c(OCc3ccccc3F)ccc3ccccc23)S1	409026873	CJGJGQUGYQOGGR-MTJSOVHGSA-N	420.465	4.664	10	40	HJCB	
CCN(CC)c1ccc(/C=C2/SC(=S)N(C(=O)c3ccc(C)cc3)C2=O)cc1	5261401	LGHGMBFUBFKTQK-XMHGGMMESA-N	410.564	4.883	10	40	HJCB	
O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1CNc1ccccc1	5336679	KAUDOYZYAPRETG-XNTDXEJSSA-N	405.342	4.720	10	40	HJCB	
Cc1ccccc1/N=N/c1ccc(NCN2C(=O)c3ccccc3S2(=O)=O)c(C)c1	27024064	TYCJFFHBJUNEBL-OCOZRVBESA-N	420.494	4.933	10	40	HJCB	
CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(OCC)cc1	33551913	XROHRRXKEHCZSY-JWGURIENSA-N	421.493	4.751	10	40	HJCB	
CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C	222954231	RNACXGDXKSUPEG-VXKWHMMOSA-N	405.571	4.657	10	40	HJCB	
O=C(Nc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N2)c1ccc(Cl)cc1Cl	1112275	FXXMVOQVYPYDOI-FHSNZYRGSA-N	403.265	4.784	10	40	HJCB	
Cc1cc(-n2c(C)cc(/C=C3\SC(=O)N(C)C3=O)c2C)ccc1Br	408818461	YAQLYAJLVKJBOL-SXGWCWSVSA-N	405.317	4.831	10	40	HJCB	
CCc1cccc2c(/C=C3\SC(=S)N(c4ccc5c(c4)OCO5)C3=O)c[nH]c12	409351451	USKVPRMTJKNEKM-LSCVHKIXSA-N	408.504	4.865	10	40	HJCB	
Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1	58850452	UPUSKELJBBGUFB-UHFFFAOYSA-N	405.317	4.657	10	40	HJCB	
O=C1N=C(O)/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1c1ccccc1F	2286129	FQRTWNBFYINCFT-XMHGGMMESA-N	416.408	4.911	10	40	HJCB	
COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(Cl)cc1C(=O)c1ccccc1	2304271	ZHROJPDGYFSBIG-QFIPXVFZSA-N	423.852	4.869	10	40	HJCB	
Cc1cc(C)cc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1	9137629	PLEKNYDCRZHGIR-VWLOTQADSA-N	405.586	4.643	10	40	HJCB	
CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)N=C2S1	9292354	WNLHCFZZRREAGS-BYOKLEKTSA-N	415.881	4.526	10	40	HJCB	
Cc1cccc(CN2CCC(C(=O)NCc3ccc(N4CCCCC4)cc3)CC2)c1	44910651	NPBUHSIMYAPRLB-UHFFFAOYSA-N	405.586	4.514	10	40	HJCB	
Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1-c1ccccn1	225008833	GHEHWXTYSPIHOP-XZOQPEGZSA-N	417.582	4.799	10	40	HJCB	
COC(=O)c1cccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1C	225690996	LFZOUJDNHSORRJ-MRXNPFEDSA-N	411.571	4.505	10	40	HJCB	
CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(=O)OC)cc1OC	408586723	OZMFLCLGHYVBOR-MOSHPQCFSA-N	421.493	4.588	10	40	HJCB	
Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1	408708634	RTYNAORMRXHUAF-KRWDZBQOSA-N	407.901	4.739	10	40	HJCB	
O=C(NN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)c1ccccc1Cl	1737999	WQGBPOGHXQQNCK-ZROIWOOFSA-N	409.319	4.540	10	40	HJCB	
CC(/C=C1\SC(=S)N(CCC(=O)Nc2ccc(O)cc2)C1=O)=C\c1ccccc1	9444154	QMDJPSHENSGWAP-FQHLDWHWSA-N	424.547	4.569	10	40	HJCB	
COc1ccc(Br)cc1/C=C1/SC(=S)N(C2CCCCC2)C1=O	113830377	OCFWTDBTMWIXGL-XNTDXEJSSA-N	412.374	4.992	10	40	HJCB	
COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(F)cc3)C2=O)c(OC)c1	408763235	RUNSEGVOXPPEJN-KGENOOAVSA-N	402.425	4.677	10	40	HJCB	
Cc1cc(C(=O)COC(=O)c2cccc(Cl)c2)c(C)n1-c1ccc2c(c1)OCO2	3385744	RUOSKQNVRURQJG-UHFFFAOYSA-N	411.841	4.516	10	40	HJCB	
O=Cc1ccc2c(c1[N+](=O)[O-])C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C2=O	3844574	PXZNHIKDFSMHQA-UHFFFAOYSA-N	419.003	4.796	10	40	HJCB	biogenic
COc1cccc(N2C(=O)NC(=O)/C(=C/c3c4ccccc4cc4ccccc34)C2=O)c1	11852664	MXWSWOIUKUTNDX-HAHDFKILSA-N	422.440	4.668	10	40	HJCB	
Cc1ccc(CN2C(=O)N/C(=C\c3ccc4c(c3)[C@H](C)CC(C)(C)N4C)C2=O)cc1	208221952	DQFSJDBKDDPOCP-OJSPLJLUSA-N	403.526	4.810	10	40	HJCB	
CC(=O)Nc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)N=C3C)c2C)cc1	408902660	PJIVKFCTXPWKIY-BUVRLJJBSA-N	412.493	4.859	10	40	HJCB	
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1	13775093	FAVHZJQWXYULJF-UYRXBGFRSA-N	421.547	4.769	10	40	HJCB	
CC(=O)Nc1ccc(/C=C2/SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)cc1	89980214	ZTHOIIOWKAGZEM-CXUHLZMHSA-N	405.401	4.746	10	40	HJCB	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3c4ccccc4cc4ccccc34)C2=O)cc1	408740410	KCUDYIKQIKTSOG-HAHDFKILSA-N	422.440	4.668	10	40	HJCB	
Cc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c(C)n1-c1ccccn1	409240054	PJNZKEMHJFZKSB-UNOMPAQXSA-N	407.470	4.865	10	40	HJCB	
Cc1ccc(N2NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1Cl	4471218	FIMIUNBFNALXKF-BKUYFWCQSA-N	418.880	4.689	10	40	HJCB	
Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2[N+](=O)[O-])cc1	32125042	KBIANTHQANSOIL-MHWRWJLKSA-N	402.522	4.885	10	40	HJCB	
CCCCN1CCc2cc(/C=C3\C(=O)N(c4ccccc4C)C(=O)N=C3O)ccc21	33365792	CNXJLJRLEOYICN-CYVLTUHYSA-N	403.482	4.664	10	40	HJCB	
CCOc1cc(N2CCCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21	222606947	XKHXWAPNRHRMQO-WQTXXOFMSA-N	408.571	4.670	10	40	HJCB	
COc1ccc(C2=N/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2cccc(C)c2)cc1	408764451	WWEKUVGTRSSNTP-JJIBRWJFSA-N	411.505	4.904	10	40	HJCB	
Cn1ccc(/C=C2/SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c1	5373939	VWARHNYYVSHZSK-SAPNQHFASA-N	408.589	4.822	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccc(Cl)cc1	15011542	DYZIZJLXSYAZTA-LICLKQGHSA-N	405.928	4.759	10	40	HJCB	
CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)SC1=S	33716513	QWRDKCFZOJPXAY-MFOYZWKCSA-N	406.960	4.977	10	40	HJCB	
CC(=O)Oc1c(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)cc(Cl)cc1[N+](=O)[O-]	408744613	YWTSSTXVECULQY-MLPAPPSSSA-N	420.204	4.808	10	40	HJCB	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(Sc4ccccc4)o3)C2=O)c1C	408760974	BPFXWWGMHHZEDK-QGOAFFKASA-N	418.474	4.714	10	40	HJCB	
CC(C)C1=NN2C(=N)/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)N=C2S1	4549406	WZFNDFXHVUFCCR-VKGGKSIRSA-N	404.495	4.541	10	40	HJCB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(C(C)C)C3=O)c2C)c1	208519869	RBEYTAFFRFWFKY-YBFXNURJSA-N	412.511	4.634	10	40	HJCB	
CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1	218757610	GGZAJRXUMAKNNO-NTKDMRAZSA-N	410.558	4.966	10	40	HJCB	
Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccc(F)cc2)cc1	408762131	NDUGQVITSIXAEN-UDWIEESQSA-N	400.409	4.697	10	40	HJCB	
CN(C)c1ccc(CN2CCC(c3nc4ccc(-c5cccs5)cn4n3)CC2)cc1	96155795	GLDLOUNZBOPCQC-UHFFFAOYSA-N	417.582	4.903	10	40	HJCB	
CCN(CCCNC(=S)Nc1cccc(Br)c1)c1ccc(C)cc1	225732925	QTAFBHNPNBRPRD-UHFFFAOYSA-N	406.393	4.961	10	40	HJCB	
Clc1ccc(-c2cnc(SCc3nnnn3C3CC3)n2Cc2ccccc2)cc1	30023093	IKCCQYHRTGCZKJ-UHFFFAOYSA-N	422.945	4.866	10	40	HJCB	
CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C	222973256	VOFXEWITYYVDCP-DHIUTWEWSA-N	419.598	4.965	10	40	HJCB	
CCc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(C(C)C)SC4=NC3=O)c2C)cc1	4561164	MKUAJIHCYQZOSR-IEHORWCKSA-N	419.554	4.932	10	40	HJCB	
Cc1ccc(-n2c(C)cc(C(=O)O[C@@H](C)c3nc4ccccc4c(=O)[nH]3)c2C)cc1	8931572	ZMVYZSDFZWAIHG-KRWDZBQOSA-N	401.466	4.557	10	40	HJCB	
Cc1cccc(C)c1NC(=O)CN(C)C(=O)/C=C/c1ccc(N2CCCCCC2)cc1	12550994	XSHOSYLZDBBJGC-DTQAZKPQSA-N	419.569	4.794	10	40	HJCB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(Cl)c3)C2=O)cc1	17373731	PUYVUYZQNPENFX-GZTJUZNOSA-N	416.955	4.878	10	40	HJCB	
COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1	225420300	MCUMTZRAGQQQFJ-APWZRJJASA-N	416.587	4.588	10	40	HJCB	
C[C@H](NC(=O)Cc1cccc(Br)c1)c1ccc(N2CCCCC2)cc1	225621374	CXEIDPMYRMVMSS-INIZCTEOSA-N	401.348	4.859	10	40	HJCB	
CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O	408809386	HLXIQDWMNMXBRH-GHRIWEEISA-N	420.852	4.558	10	40	HJCB	
CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C	408880603	KEIHLEGHSNCUJM-HMAPJEAMSA-N	406.526	4.813	10	40	HJCB	
Cc1ccc(Sc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)cc1	409250559	RAOQVQCJVOZIPR-RCCKNPSSSA-N	414.486	4.813	10	40	HJCB	
COc1ccc(N2C(=O)/C(=C\c3cc(Br)ccc3O)SC2=S)cc1	4509728	IVZMRXWQDQYLRU-OQLLNIDSSA-N	422.325	4.569	10	40	HJCB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(C(C)C)C3=O)c2C)c1	15013576	ZHYVGXGGXOBUMF-XDHOZWIPSA-N	412.511	4.716	10	40	HJCB	
CC[C@H](C)N1C(=O)/C(=C/c2ccc(OC(=O)c3ccco3)c(OC)c2)SC1=S	26841405	RAOMPTYOWJXAAI-UEMWTREESA-N	417.508	4.507	10	40	HJCB	
O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc2ccccc12	5376073	NINHAVSTLDZLHP-QGOAFFKASA-N	408.504	4.663	10	40	HJCB	
Oc1ccccc1CN(C[C@@H](O)COCc1ccccc1Cl)C1CCCCC1	6082943	BXSMBQCDJIYWMS-OAQYLSRUSA-N	403.950	4.758	10	40	HJCB	
CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O	32701800	TVRSHPBSCKLLQL-YAXRHUFXSA-N	414.939	4.833	10	40	HJCB	
CCOc1cc(/C=C2\SC(c3ccccc3)=NC2=O)cc(Br)c1O	1083503	YGBRJASYINBHGZ-GDNBJRDFSA-N	404.285	4.615	10	40	HJCB	
COc1ccc(/C=C2/SC(=O)N(CCCC(=O)Nc3ccccc3)C2=S)cc1	1236322	SLMDKGBQSBTBRZ-NBVRZTHBSA-N	412.536	4.951	10	40	HJCB	
C/C(=C1/SC(=S)N(c2cccc(O)c2)C1=O)c1cccc(Br)c1	1476342	QLJUUZBTPHFWRZ-GDNBJRDFSA-N	406.326	4.951	10	40	HJCB	
O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S	8828321	QIMXBIBLKXFGQJ-SYKGDFLPSA-N	415.923	4.836	10	40	HJCB	
CC(C)c1ccc([C@@H]2Nc3ccc(C(=O)NCCC(=O)O)cc3[C@@H]3C=CC[C@H]32)cc1	14944361	UTOVQTGYUDRRIQ-REHUZNOOSA-N	404.510	4.841	10	40	HJCB	
CN(C)c1ccc([C@@H]2CC(C(C)(C)C)=NN2S(=O)(=O)c2ccc(Cl)cc2)cc1	32925230	GXFFQYNBZWEUFS-IBGZPJMESA-N	419.978	4.944	10	40	HJCB	
Cc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)N=C2O)cc(C)c1O	38167688	JMAPBFWCQGGIFO-NTUHNPAUSA-N	405.237	4.823	10	40	HJCB	
COc1ccc(/C=C2\SC(=S)NC2=O)cc1OCc1c(F)cccc1Cl	108244126	WFIPKIBNZUQSJM-PXNMLYILSA-N	409.891	4.556	10	40	HJCB	
COc1ccc(OCCCC(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1	4297932	QKMYXEWHCCEEOF-UHFFFAOYSA-N	421.493	4.688	10	40	HJCB	
COc1cc(/C=C2/SC(=S)N(c3cc(C)ccc3C)C2=O)cc(OC)c1OC	35040713	IMKZAGSOCYFSGK-WOJGMQOQSA-N	415.536	4.735	10	40	HJCB	
CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)cc(Cl)c1O	38180873	ZZTGLCLOPSQQAH-ZSOIEALJSA-N	414.845	4.568	10	40	HJCB	
Cc1c(Cl)cccc1N/C=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C(F)(F)F	100057374	WBMFXCIZGNTSKO-LCYFTJDESA-N	424.766	4.818	10	40	HJCB	
CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCCC1	222595824	ULLNUJHLWSUSCZ-SSKFGXFMSA-N	408.571	4.670	10	40	HJCB	
Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(N4CCC[C@@H](C)C4)cc3)cc2)n1	225292823	LZKCCYQGRJQZIO-LJQANCHMSA-N	416.569	4.715	10	40	HJCB	
Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S	409201208	OHIWZKNLGMYVQH-RIYZIHGNSA-N	411.321	4.544	10	40	HJCB	
CCOc1ccccc1N1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=S	4691300	SJAXICLQEXKIJH-PDGQHHTCSA-N	401.509	4.508	10	40	HJCB	
COc1ccc(-c2c(C)c3ccc(O)c(CN4CCCCCC4)c3oc2=O)c(OC)c1	6623717	VHJGQAUOUXENJC-UHFFFAOYSA-N	423.509	4.867	10	40	HJCB	biogenic
CCCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)cc1OC	59860784	NPPQLUZAWOKKDV-SFQUDFHCSA-N	408.454	4.608	10	40	HJCB	
O=C(NCc1ccc(N2CCCC2)cc1)c1cc2c(F)cc(Br)cc2[nH]1	65474693	AHXAPGBQNNNSOF-UHFFFAOYSA-N	416.294	4.600	10	40	HJCB