smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCc3ccccc3)C2=O)cc1OC	217801194	BCEJYVAGZVNRCP-KRWDZBQOSA-N	411.458	1.873	70	50	HDIA	biogenic
COC(=O)CC1CCN(C(=O)C[C@@H]2NC(=O)N(Cc3ccccc3OC)C2=O)CC1	218080095	AATJHLZYIYAZQC-INIZCTEOSA-N	417.462	1.307	70	50	HDIA	biogenic
CC[C@@H](C)[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O	217592721	PQARNEBKHVQVBW-VHDGCEQUSA-N	407.467	1.038	70	50	HDIA	biogenic
COc1ccc(N2C(=O)N[C@@H](CC(=O)N3CCN(Cc4ccccc4)CC3)C2=O)cc1	218440245	IKSJEIRQGQGNLW-FQEVSTJZSA-N	422.485	1.855	70	50	HDIA	
COC(=O)CC1CCN(C(=O)Cn2ccc3c(NS(C)(=O)=O)cccc32)CC1	218409660	PEKQCOQFSDRWAF-UHFFFAOYSA-N	407.492	1.815	70	50	HDIA	
COc1ccc2nc(N3CCOCC3)c([C@@H](CC(N)=O)c3c(C)[nH][nH]c3=O)cc2c1	218313199	IIBANUFSQHBPQT-OAHLLOKOSA-N	411.462	1.412	70	50	HDIA	
CC(C)S(=O)(=O)N1CCN(Cc2oc(CN3CCCCC3)cc(=O)c2O)CC1	218493020	IFQLWHLIKOPTHY-UHFFFAOYSA-N	413.540	1.187	70	50	HDIA	
CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1c(C)cc(C)n(C[C@@H]2CCCO2)c1=O	218040434	LTWGBVSZWCGMHE-PMACEKPBSA-N	423.513	1.957	70	50	HDIA	
COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1c(O)c(C(=O)OC)c[nH]c1=O	218111524	NOCRXLDIBZMURY-NSHDSACASA-N	419.386	1.342	70	50	HDIA	biogenic
COc1cc2ncn(CC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)c(=O)c2cc1OC	217773945	BMCMFXYLUJCSQB-MAUKXSAKSA-N	414.506	1.794	70	50	HDIA	biogenic
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1cccc(OCc2cccnc2)c1	218168630	DKCDKUQUXLBOAO-KRWDZBQOSA-N	424.457	1.790	70	50	HDIA	
Cc1nc2sc([C@@H](c3ccccc3)N3CCN(S(C)(=O)=O)CC3)c(O)n2n1	218320312	LNQQUURTUHQGAA-CQSZACIVSA-N	407.521	1.471	70	50	HDIA	
CN(Cc1ccccc1S(N)(=O)=O)C(=O)Nc1ccc(OS(=O)(=O)F)cc1	1875388121	NSEDZNGKZHUVHW-UHFFFAOYSA-N	417.440	1.591	70	50	HDIA	
Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCc1nnnn1-c1ccccc1	218543626	HBFMXPXBCUUPNA-KRWDZBQOSA-N	408.462	1.550	70	50	HDIA	
COCc1cc(=O)c(O)c([C@H](CC(N)=O)c2cc3cc(OC)ccc3[nH]c2=O)o1	217793730	PFYNZWFJXHVSIH-CYBMUJFWSA-N	400.387	1.349	70	50	HDIA	biogenic
COc1ccccc1N1CCN(Cc2c(O)occ(CN3CCOCC3)c2=O)CC1	218550048	NGFLMWXGLPPJTN-UHFFFAOYSA-N	415.490	1.508	70	50	HDIA	
CCn1c(N)c(-c2csc(-c3ccc(OS(=O)(=O)F)cc3)n2)c(O)nc1=O	1875389907	LWCBFJNUFLAYGO-UHFFFAOYSA-N	412.424	1.935	70	50	HDIA	
COCCCn1cc(C(=O)c2cc(OC)ccc2OS(=O)(=O)F)cc(C#N)c1=O	1875374377	MVSZCQUIYNYJLU-UHFFFAOYSA-N	424.406	1.589	70	50	HDIA	
COC(=O)C[C@H](c1ccc(OC)c(OCC(N)=O)c1)c1c(O)ccc2nsnc12	218194915	WXJQSWTUXADPJC-LLVKDONJSA-N	417.443	1.965	70	50	HDIA	
COC(=O)C[C@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)c1c(O)cc(C)oc1=O	217992229	KORRVKDJTVVZJH-GFCCVEGCSA-N	413.382	1.962	70	50	HDIA	biogenic
O=C(C[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N[C@H](CO)c1ccccc1	217629235	FURIWUYZBQLDDN-JKSUJKDBSA-N	411.414	1.076	70	50	HDIA	biogenic
CCOC(=O)N1CCN(C(=O)C[C@@H]2NC(=O)N(c3cccc4ccccc34)C2=O)CC1	218521784	YESWFHUNSCQEFM-KRWDZBQOSA-N	424.457	1.955	70	50	HDIA	
Cc1ccc(-n2nc(C)cc2NS(=O)(=O)c2cccc(S(=O)(=O)F)c2)nn1	848947148	WOSIFWLRWRYFOF-UHFFFAOYSA-N	411.440	1.738	70	50	HDIA	
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCCc3ccc(O)cc3)C2=O)cc1	217860271	MWLMHXWDOYVAHR-IBGZPJMESA-N	411.458	1.613	70	50	HDIA	biogenic
COCc1cc(=O)c(O)c([C@H](CC(N)=O)c2cc3cccc4c3n(c2=O)CCC4)o1	217799775	YDZIUSJGHXVLFL-OAHLLOKOSA-N	410.426	1.760	70	50	HDIA	biogenic
COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(CN2CCOCC2)cc(=O)c1O	217903570	IENWNZWOMGXXOK-OAHLLOKOSA-N	419.430	1.587	70	50	HDIA	biogenic
Cc1nc2sc([C@@H](c3ccsc3)N3CCN(S(C)(=O)=O)CC3)c(O)n2n1	218452677	CRZWHUAXBCKPSK-GFCCVEGCSA-N	413.550	1.533	70	50	HDIA	
COc1ccc(CCN2C[C@@H](C(=O)N[C@H](CO)c3ccccc3)CC2=O)cc1OC	217919943	KZIZCCRAXAABFM-RBUKOAKNSA-N	412.486	1.945	70	50	HDIA	biogenic
CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@H]2NC(=O)N(c3ccccc3)C2=O)CC1	218604047	XDIFFPXYVLLDGS-HNNXBMFYSA-N	402.451	1.581	70	50	HDIA	
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1cc2ccc(OC)cc2[nH]c1=O	217631622	KMCLBRSSIZIFKW-GFCCVEGCSA-N	410.382	1.843	70	50	HDIA	biogenic
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NC1CCN(Cc2cccnc2)CC1	218344269	WAQZYKRESISBCJ-IBGZPJMESA-N	407.474	1.303	70	50	HDIA	
COc1c2c(c(S(=O)(=O)NCc3ccccc3)c3c1C(=O)N(C)CC3)OCO2	217972052	LKQAGQVMDXHNBI-UHFFFAOYSA-N	404.444	1.531	70	50	HDIA	biogenic
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(OCc2ccccn2)cc1	218140375	FDRPUPOHWSQXDM-QGZVFWFLSA-N	424.457	1.790	70	50	HDIA	
CC(C)C[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O	217748801	HZRAZQHJQJPYLV-GJZGRUSLSA-N	405.451	1.139	70	50	HDIA	biogenic
COc1ccc([C@H](c2sc3ncnn3c2O)N2CCN(C)CC2)c(OC)c1OC	218434309	JZKITFKZBXVUPI-CQSZACIVSA-N	419.507	1.859	70	50	HDIA	
O=C(C[C@@H]1NC(=O)N(c2cccc3ccccc23)C1=O)NCCCN1CCOCC1	218431936	XOOBCKLHFHUCEJ-SFHVURJKSA-N	410.474	1.493	70	50	HDIA	
COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c(O)c(C(=O)OC)c[nH]c1=O	218081604	DLDJZOLPOFARNW-JTQLQIEISA-N	407.375	1.285	70	50	HDIA	biogenic
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCc1nc(-c2cccnc2)no1	218328011	CIQQLRZKZVHRDE-HNNXBMFYSA-N	406.402	1.279	70	50	HDIA	
O=C(CSc1nnnn1C1CCCC1)N1CCCC[C@@H]1CCS(=O)(=O)F	2325887649	IODDYTGNSZIOEB-GFCCVEGCSA-N	405.521	1.951	70	50	HDIA	
O=C(CCCCCn1nnc2ccccc2c1=O)NCCc1nnc2ccccn12	218530009	XOFWTANKLBOXOU-UHFFFAOYSA-N	405.462	1.754	70	50	HDIA	
COC(=O)CC1CCN(C(=O)C[C@@H]2NC(=O)N(CCc3ccccc3)C2=O)CC1	218541927	AKYMQVHFLYXLGE-KRWDZBQOSA-N	401.463	1.341	70	50	HDIA	
COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1c(O)c(C(=O)OC)c[nH]c1=O	218053161	RGNAMBMKNZIASR-LLVKDONJSA-N	421.402	1.588	70	50	HDIA	biogenic
CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)NCCc1nnc2ccccn12	218487259	AUXVYRVRLSLTTE-UHFFFAOYSA-N	412.475	1.414	70	50	HDIA	
O=C1[C@@H]2[C@@H]3[C@H](Br)[C@H](Br)[C@@H]3C=C[C@@H]2N1S(=O)(=O)Cl	254757864	DBDJRMYLAUUFLA-VOUCJTRVSA-N	405.495	1.640	70	50	HDIA	
COc1cc(CC(=O)Nc2cncc(OS(=O)(=O)F)c2)cc(OC)c1OC	1875387342	CKBRIUYHAHAKOD-UHFFFAOYSA-N	400.384	1.882	70	50	HDIA	
Cc1nc2sc([C@H](c3ccccc3)N3CCN(S(C)(=O)=O)CC3)c(O)n2n1	218320391	LNQQUURTUHQGAA-AWEZNQCLSA-N	407.521	1.471	70	50	HDIA	
CC(C)Cc1nc(NC(=O)C[C@@H]2NC(=O)N(CCc3cccc(F)c3)C2=O)n[nH]1	218496524	POMRVUVTVNEKQN-AWEZNQCLSA-N	402.430	1.634	70	50	HDIA	
COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCC(CS(=O)(=O)F)CC3)C2)c1	2325887666	MAWPVGUDHJDLSI-QGZVFWFLSA-N	414.455	1.735	70	50	HDIA	
COCc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cc3cccc4c3n(c2=O)CCC4)o1	217799872	YDZIUSJGHXVLFL-HNNXBMFYSA-N	410.426	1.760	70	50	HDIA	biogenic
CN1C(=O)COc2cc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)ccc21	217916476	QYCSGFGDNMZNLO-HNNXBMFYSA-N	408.414	1.511	70	50	HDIA	biogenic
COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1oc(CN2CCOCC2)cc(=O)c1O	217642043	SEVZEAMLJLKEJK-OAHLLOKOSA-N	419.430	1.587	70	50	HDIA	biogenic
COc1ccc([C@H](c2sc3ncnn3c2O)N2CCOCC2)c(OC)c1OC	218474507	LGQJDWWHYKNXOJ-CYBMUJFWSA-N	406.464	1.944	70	50	HDIA	
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)NCc3cccn3C)C2=O)cc1OC	217740080	MSFMYWXZBMTZPK-INIZCTEOSA-N	414.462	1.212	70	50	HDIA	biogenic
C[C@H](NC(=O)C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)c1nnc2ccccn12	218181477	QKGLSKHMTLLIGA-HOCLYGCPSA-N	406.446	1.460	70	50	HDIA	
CCN1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O	218347308	XQZGFVDQBHBXOC-HOTGVXAUSA-N	416.478	1.216	70	50	HDIA	
COc1cc2nc(C)n(CC(=O)NCCn3cnc4ccccc43)c(=O)c2cc1OC	218403140	HIAGQVGGDWOJPO-UHFFFAOYSA-N	421.457	1.888	70	50	HDIA	
COC(=O)CC1CCN(C(=O)C[C@@H]2NC(=O)N(CCc3cccc(F)c3)C2=O)CC1	218263677	YEBRXRLXVRQJJT-KRWDZBQOSA-N	419.453	1.480	70	50	HDIA	
CC(C)N(C)CC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1	216794538	NTTSFIPXKPZZBP-LJQANCHMSA-N	415.582	1.741	70	50	HDIA	
COC(=O)C[C@@H](c1c(O)c(C(=O)OC)c[nH]c1=O)c1cc2cccc3c2n(c1=O)CC3	218005444	UAPYXPAGXWEXRS-CYBMUJFWSA-N	424.409	1.433	70	50	HDIA	biogenic
COCCn1c(CCNC(=O)c2ccccc2-n2nnnc2C)nc2ccccc21	218468890	HFJMFQPMGDPNFA-UHFFFAOYSA-N	405.462	1.939	70	50	HDIA	
COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(CN2CCOCC2)cc(=O)c1O	217903625	IENWNZWOMGXXOK-HNNXBMFYSA-N	419.430	1.587	70	50	HDIA	biogenic
COCCn1c(CNC(=O)Cn2nc3c(cc2=O)CCCCC3)nc2ccccc21	218334927	OHLDPWDJPBTCKH-UHFFFAOYSA-N	409.490	1.825	70	50	HDIA	
COC(=O)CC1CCN(C(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)CC1	218404360	MYMQECMQSQCWOW-KRWDZBQOSA-N	401.463	1.689	70	50	HDIA	
COCCn1c([C@H](C)NC(=O)CCN2C(=O)c3ccncc3C2=O)nc2ccccc21	218300189	LSCJIOFTIHIGGQ-AWEZNQCLSA-N	421.457	1.941	70	50	HDIA	
O=C1CC[C@H](N2Cc3c(cccc3-c3ccc(S(=O)(=O)F)cc3)C2=O)C(=O)N1	1875389728	ZLYAIHYJORHICK-INIZCTEOSA-N	402.403	1.773	70	50	HDIA	
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCCc3ccc(O)cc3)C2=O)cc1	217836637	MUHLDGNWBFFANR-IBGZPJMESA-N	411.458	1.960	70	50	HDIA	biogenic
COC(=O)C[C@H](c1c(O)c(C(=O)OC)c[nH]c1=O)c1cc2cccc3c2n(c1=O)CC3	218005352	UAPYXPAGXWEXRS-ZDUSSCGKSA-N	424.409	1.433	70	50	HDIA	biogenic
COCc1cc(=O)c(O)c([C@H](CC(N)=O)c2cc3ccc(OC)cc3[nH]c2=O)o1	217823711	POROBQQFKMIHNR-CYBMUJFWSA-N	400.387	1.349	70	50	HDIA	biogenic
COc1ccc(-c2n[nH]c(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)n2)cc1	217682404	RTMAPTMCCQBYGA-INIZCTEOSA-N	420.429	1.950	70	50	HDIA	biogenic
CSCC[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	217892485	FOWQENSLMGZHNR-YOEHRIQHSA-N	418.519	1.251	70	50	HDIA	biogenic
COC(=O)CNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12	217770391	PWWDDPHXOCYWLI-HXUWFJFHSA-N	407.426	1.871	70	50	HDIA	biogenic
COCc1nnc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)s1	218283436	NBMLJBLWZMMOJL-NSHDSACASA-N	409.855	1.787	70	50	HDIA	
COc1cc2c(cc1OC)CN(Cc1oc(CN3CCOCC3)cc(=O)c1O)CC2	217810395	NUDHKLOHHYPWEY-UHFFFAOYSA-N	416.474	1.753	70	50	HDIA	biogenic
COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)c(C(=O)OC)c[nH]c1=O	218094487	DEMYATQMHSWBBW-NSHDSACASA-N	421.402	1.588	70	50	HDIA	biogenic
COCc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cc3cc4c(cc3[nH]c2=O)OCO4)o1	217894107	BWAAGRCBAOFXQI-NSHDSACASA-N	414.370	1.069	70	50	HDIA	biogenic
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(OCc2ccccn2)cc1	218140453	FDRPUPOHWSQXDM-KRWDZBQOSA-N	424.457	1.790	70	50	HDIA	
COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N[C@H](CO)CCSC)C2=O)cc1	217694058	KJCZXMKQUBUPEV-RDJZCZTQSA-N	423.535	1.169	70	50	HDIA	biogenic
COC(=O)CC1CCN(C(=O)C[C@@H]2NC(=O)N(Cc3ccc(OC)cc3)C2=O)CC1	218279458	QWWANEYCXHTOGU-KRWDZBQOSA-N	417.462	1.307	70	50	HDIA	
COc1cc(NC(=O)[C@H]2[C@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)cc(OC)c1	217711082	BMATZUODZZVNQW-NKMKZGIRSA-N	411.414	1.925	70	50	HDIA	
COC(=O)C[C@@H](c1ccccc1OC)c1oc(CN2CCOCC2)cc(=O)c1O	217895743	WNVNBROFRCZNAO-INIZCTEOSA-N	403.431	1.881	70	50	HDIA	biogenic
COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c(O)c(C(=O)OC)c[nH]c1=O	218081522	DLDJZOLPOFARNW-SNVBAGLBSA-N	407.375	1.285	70	50	HDIA	biogenic
COc1ccc(CN2C(=O)N[C@@H](CC(=O)N[C@H](CO)Cc3ccccc3)C2=O)cc1	217937393	VMNFHQKJFYIYGU-HKUYNNGSSA-N	411.458	1.226	70	50	HDIA	biogenic
COCc1cc(=O)c(O)c([C@@H](CC(N)=O)c2coc3ccc(OC)cc3c2=O)o1	217845898	HNEAAIFIHISKTG-LBPRGKRZSA-N	401.371	1.614	70	50	HDIA	biogenic
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(S(N)(=O)=O)c1	218289400	VWRIXYXYDRHOHD-AWEZNQCLSA-N	406.416	1.592	70	50	HDIA	
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc(COc2ccccc2)n[nH]1	217846625	YNHHSYFKEYAYNP-HNNXBMFYSA-N	406.402	1.463	70	50	HDIA	biogenic
COc1ccc([C@@H](c2sc3ncnn3c2O)N2CCN(C)CC2)c(OC)c1OC	218434228	JZKITFKZBXVUPI-AWEZNQCLSA-N	419.507	1.859	70	50	HDIA	
Cc1nc2sc([C@H](c3ccsc3)N3CCN(S(C)(=O)=O)CC3)c(O)n2n1	218452766	CRZWHUAXBCKPSK-LBPRGKRZSA-N	413.550	1.533	70	50	HDIA	
COc1ccc(N2C(=O)N[C@@H](CC(=O)NC[C@@H]3CCCN4CCCC[C@H]34)C2=O)cc1	218126924	SPBQKENQJALNBD-ZYSHUDEJSA-N	414.506	1.891	70	50	HDIA	biogenic
O=C(COc1ccc2c(c1)NC(=O)CC2)NCCn1c(=O)c(O)nc2ccccc21	218428758	WBOIGCSOFXVWQS-UHFFFAOYSA-N	408.414	1.182	70	50	HDIA	
COc1cc(N2C[C@H](C(=O)N[C@H](CO)c3ccccc3)CC2=O)cc(OC)c1OC	218201825	WEADIGDTLMCEJD-NVXWUHKLSA-N	414.458	1.915	70	50	HDIA	
COC(=O)C[C@@H](c1cc(Cl)c2c(c1)OCO2)c1c(O)c(C(=O)OC)c[nH]c1=O	218090162	IQIRVGWHKKOMQN-VIFPVBQESA-N	409.778	1.944	70	50	HDIA	biogenic
O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)N1CCN(C/C=C/c2ccccc2)CC1	218127867	HXEAZAQQWITZGS-BFSLETRISA-N	422.485	1.948	70	50	HDIA	
Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1	218470094	AEOAKKTZMWASDQ-CQSZACIVSA-N	410.430	1.426	70	50	HDIA	
NS(=O)(=O)c1ccc(CNC(=O)C2CCN(c3ccc(Cl)nn3)CC2)cc1	218381860	AIFAQTTYMBYXIG-UHFFFAOYSA-N	409.899	1.310	70	50	HDIA	
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(S(N)(=O)=O)c1	218289338	VWRIXYXYDRHOHD-CQSZACIVSA-N	406.416	1.592	70	50	HDIA	
COc1ccccc1CCN1C[C@@H](C(=O)Nc2ccc3nc[nH]c(=O)c3c2)CC1=O	218271374	UNEDZZGSNDMKSS-HNNXBMFYSA-N	406.442	1.961	70	50	HDIA	
O=C(CSc1nnnn1C1CCCC1)N1CCCC[C@H]1CCS(=O)(=O)F	2325887650	IODDYTGNSZIOEB-LBPRGKRZSA-N	405.521	1.951	70	50	HDIA	
CCN1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O	218347222	XQZGFVDQBHBXOC-CVEARBPZSA-N	416.478	1.216	70	50	HDIA	
COc1ccc(CCN2C[C@H](C(=O)N[C@H](CO)c3ccccc3)CC2=O)cc1OC	217919859	KZIZCCRAXAABFM-RTBURBONSA-N	412.486	1.945	70	50	HDIA	biogenic
C#Cc1cc(OS(=O)(=O)F)cc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1	1875388010	JMNALFVLXGQLFG-KRWDZBQOSA-N	402.403	1.796	70	50	HDIA	
CS(=O)(=O)N1CCN(C(=O)c2cnc3c(OC(F)(F)F)cccc3c2O)CC1	218326483	IQWNWYOWSZZGEA-UHFFFAOYSA-N	419.381	1.556	70	50	HDIA	
COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1c(O)c(C(=O)OC)c[nH]c1=O	218111449	NOCRXLDIBZMURY-LLVKDONJSA-N	419.386	1.342	70	50	HDIA	biogenic
COC(=O)C[C@H](c1cc(Cl)c2c(c1)OCO2)c1c(O)c(C(=O)OC)c[nH]c1=O	218090083	IQIRVGWHKKOMQN-SECBINFHSA-N	409.778	1.944	70	50	HDIA	biogenic
COc1ccccc1N1CCN(Cc2oc(CN3CCOCC3)cc(=O)c2O)CC1	218466689	MPKZLJDCZVBHMP-UHFFFAOYSA-N	415.490	1.508	70	50	HDIA	
O=C1[C@@H]2[C@@H]3[C@H](Br)[C@H](Br)[C@H]3C=C[C@@H]2N1S(=O)(=O)Cl	254757861	DBDJRMYLAUUFLA-RJDKYLDESA-N	405.495	1.640	70	50	HDIA	
COC(=O)c1nc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(O)cc3)C2)sc1C	217764079	OJPKIMMXKFTSMT-CYBMUJFWSA-N	403.460	1.973	70	50	HDIA	biogenic
COc1ccc(CN2C(=O)N[C@@H](CC(=O)N[C@@H](C)c3nnc4ccccn34)C2=O)cc1	218146143	RMOCCXKVKGJKBE-BBRMVZONSA-N	422.445	1.426	70	50	HDIA	
COC(=O)[C@H](CC(C)C)NC(=O)Cn1nc(-c2ccc(F)cc2OC)ccc1=O	218349930	OYRKSSHIHKPPRE-INIZCTEOSA-N	405.426	1.762	70	50	HDIA	
CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)cc1	1875387981	IKHSMKUOCLQRBF-UHFFFAOYSA-N	402.425	1.830	70	50	HDIA	
COC(=O)CNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12	217770463	PWWDDPHXOCYWLI-FQEVSTJZSA-N	407.426	1.871	70	50	HDIA	biogenic
O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)N[C@H](CO)c1ccccc1	217909652	FUJKXBTWUWJHDT-VQTJNVASSA-N	420.469	1.871	70	50	HDIA	biogenic
COCc1cc(=O)c(O)c([C@H](CC(N)=O)c2cc3cc4c(cc3[nH]c2=O)OCO4)o1	217894026	BWAAGRCBAOFXQI-LLVKDONJSA-N	414.370	1.069	70	50	HDIA	biogenic
CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1c(C)cc(C)n(C[C@H]2CCCO2)c1=O	218040512	LTWGBVSZWCGMHE-UXHICEINSA-N	423.513	1.957	70	50	HDIA	
CCN1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)cc2)C1=O	218360399	QRXZFZFPYQXLRG-WMZOPIPTSA-N	402.495	1.496	70	50	HDIA	
NC(=O)C[C@H](c1cc(F)c(F)c(F)c1)c1oc(CN2CCOCC2)cc(=O)c1O	218505190	PTCFLGUJVAVJKJ-GFCCVEGCSA-N	412.364	1.602	70	50	HDIA	
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1ccc(OC(F)(F)F)cc1	218287170	CNTWSDVXCWCSII-LLVKDONJSA-N	401.341	1.715	70	50	HDIA	
COC(=O)C[C@@H](c1ccc(OC)cc1)c1oc(CN2CCOCC2)cc(=O)c1O	217781721	FTSFEGYKDQAQRV-KRWDZBQOSA-N	403.431	1.881	70	50	HDIA	biogenic
COC(=O)c1nc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(O)cc3)C2)sc1C	217764170	OJPKIMMXKFTSMT-ZDUSSCGKSA-N	403.460	1.973	70	50	HDIA	biogenic
COc1cc(NC(=O)[C@@H]2[C@H]3C=C[C@@]4(CN(c5cc(C)on5)C(=O)[C@H]24)O3)cc(OC)c1	217710987	BMATZUODZZVNQW-OCQZMCQHSA-N	411.414	1.925	70	50	HDIA	
CS(=O)(=O)N1CCN([C@@H](c2cccc(F)c2)c2sc3ncnn3c2O)CC1	218481819	VSTKMXWBQIYHSI-ZDUSSCGKSA-N	411.484	1.302	70	50	HDIA	
O=S(=O)(F)Oc1ccc(S(=O)(=O)c2ccc(OS(=O)(=O)F)cc2)cc1	526058838	HLYHIXFVAKOJKN-UHFFFAOYSA-N	414.385	1.706	70	50	HDIA	
COCCn1c([C@H](C)NC(=O)Cn2nnc3ccccc3c2=O)nc2ccccc21	218397327	HCJQNYYQNSYWGM-AWEZNQCLSA-N	406.446	1.665	70	50	HDIA	
NC(=O)C[C@H](c1oc(CN2CCOCC2)cc(=O)c1O)c1ccnc2ccccc12	218094971	XHOXRWIMUITOOH-KRWDZBQOSA-N	409.442	1.733	70	50	HDIA	biogenic
O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N[C@H](CO)Cc1ccccc1	217915848	UUUDGKOGLSYSPU-PMACEKPBSA-N	409.486	1.650	70	50	HDIA	biogenic
Cn1c(=O)n(C)c2cc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)ccc21	217809469	BLWIVPUVSIWYJC-HNNXBMFYSA-N	407.430	1.346	70	50	HDIA	biogenic
CCN(C)CC(=O)N1CCC(N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1	216813330	MDRIIUBUGKPUCZ-GOSISDBHSA-N	401.555	1.353	70	50	HDIA	
CS(=O)(=O)N1CCN(C(=O)c2cnc3ccc(OC(F)(F)F)cc3c2O)CC1	218220433	WIRCHXMMRYVJEK-UHFFFAOYSA-N	419.381	1.556	70	50	HDIA	
COc1cccc(N2CCN(Cc3c(O)occ(CN4CCOCC4)c3=O)CC2)c1	218607104	WASHJLWBDQLCAT-UHFFFAOYSA-N	415.490	1.508	70	50	HDIA	
COC(=O)C[C@H](c1ccccc1OC)c1oc(CN2CCOCC2)cc(=O)c1O	217895845	WNVNBROFRCZNAO-MRXNPFEDSA-N	403.431	1.881	70	50	HDIA	biogenic
CCOC(=O)N1CCN(C(=O)C[C@@H]2NC(=O)N(c3ccc(C(C)C)cc3)C2=O)CC1	218594768	HUGNEWQVOMNLPU-KRWDZBQOSA-N	416.478	1.926	70	50	HDIA	
C#Cc1cc(OS(=O)(=O)F)cc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c1	1875388011	JMNALFVLXGQLFG-QGZVFWFLSA-N	402.403	1.796	70	50	HDIA	
COCc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cc3ccc(OC)cc3n(C)c2=O)o1	217629870	BXHOXJRIMQAZSV-AWEZNQCLSA-N	414.414	1.360	70	50	HDIA	biogenic
CS(=O)(=O)N1CCN([C@H](c2cccc(F)c2)c2sc3ncnn3c2O)CC1	218481889	VSTKMXWBQIYHSI-CYBMUJFWSA-N	411.484	1.302	70	50	HDIA	
COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@H](CO)Cc1ccccc1)C=C2	217779244	RUGMKWGWILZBPW-IBGZPJMESA-N	410.470	1.779	70	50	HDIA	biogenic
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)N[C@H](CO)c3ccccc3)C2=O)cc1	217814245	LIZPLNWXIPCZFS-RBUKOAKNSA-N	411.458	1.398	70	50	HDIA	biogenic
Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1	218470024	AEOAKKTZMWASDQ-AWEZNQCLSA-N	410.430	1.426	70	50	HDIA	
C[C@H](NC(=O)Cn1ccc2c(NS(C)(=O)=O)cccc21)c1nnc2ccccn12	218143510	ANVFMKHLOOLKPM-ZDUSSCGKSA-N	412.475	1.933	70	50	HDIA	
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]12)NCCc1c[nH]cn1	217864396	QFMMVHRYSCJVNX-HXUWFJFHSA-N	401.426	1.883	70	50	HDIA	biogenic
CCN1CCC[C@H]1CNC(=O)C[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O	218226974	NKWRFWXZSZUDIA-HOTGVXAUSA-N	418.494	1.115	70	50	HDIA	
CC(C)C[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	217683819	PLHWNPJRZZHBOW-YJBOKZPZSA-N	400.479	1.544	70	50	HDIA	biogenic
COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1oc(CN2CCOCC2)cc(=O)c1O	217642122	SEVZEAMLJLKEJK-HNNXBMFYSA-N	419.430	1.587	70	50	HDIA	biogenic
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCc1nc(-c2ccncc2)no1	218141904	FLNZMPRDXAJQKV-HNNXBMFYSA-N	406.402	1.279	70	50	HDIA	
COCc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cc3ccc(OC)cc3[nH]c2=O)o1	217823807	POROBQQFKMIHNR-ZDUSSCGKSA-N	400.387	1.349	70	50	HDIA	biogenic
COCc1cc(=O)c(O)c([C@@H](CC(N)=O)c2cc3cc(OC)ccc3[nH]c2=O)o1	217793817	PFYNZWFJXHVSIH-ZDUSSCGKSA-N	400.387	1.349	70	50	HDIA	biogenic
NC(=O)C[C@H](C1=Cc2ccccc2OC1)c1oc(CN2CCOCC2)cc(=O)c1O	217959794	DGURTVVYZHTHRG-QGZVFWFLSA-N	412.442	1.613	70	50	HDIA	biogenic
COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)c(C(=O)OC)c[nH]c1=O	218094415	DEMYATQMHSWBBW-LLVKDONJSA-N	421.402	1.588	70	50	HDIA	biogenic
O=C1[C@@H]2[C@@H]3[C@H](Br)[C@H](Br)[C@@H]3C=C[C@H]2N1S(=O)(=O)Cl	254757858	DBDJRMYLAUUFLA-CUYQCCFGSA-N	405.495	1.640	70	50	HDIA	
COCc1nnc(NC(=O)CC[C@@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)s1	218180570	MAVKRPFCYLMKRX-LBPRGKRZSA-N	407.427	1.663	70	50	HDIA	
O=C(c1cnnn1-c1ccccc1Br)N1CCN(S(=O)(=O)F)CC1	2325890173	IVJBBWGANHGHDP-UHFFFAOYSA-N	418.248	1.002	70	50	HDIA	
COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3ccc(C(N)=O)cc3)C2=O)cc1	217813790	IEXCWXWWHYKXLI-SFHVURJKSA-N	424.457	1.676	70	50	HDIA	biogenic
NC(=O)C[C@@H](c1cc(F)c(F)c(F)c1)c1oc(CN2CCOCC2)cc(=O)c1O	218505280	PTCFLGUJVAVJKJ-LBPRGKRZSA-N	412.364	1.602	70	50	HDIA	
COc1ccccc1-c1nc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)n[nH]1	217676509	OEJZGBMUNHIHHG-AWEZNQCLSA-N	406.402	1.560	70	50	HDIA	biogenic
O=C(NCc1ccncc1)[C@@H]1[C@H]2C=C[C@@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2	217524795	BNABLMYXUHGLDW-GZHDQSLTSA-N	405.410	1.413	70	50	HDIA	biogenic
COc1ccc([C@@H](c2sc3ncnn3c2O)N2CCOCC2)c(OC)c1OC	218474425	LGQJDWWHYKNXOJ-ZDUSSCGKSA-N	406.464	1.944	70	50	HDIA	
COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1oc(CN2CCOCC2)cc(=O)c1O	217625629	VDPWOKAAEOJLQA-HNNXBMFYSA-N	417.414	1.601	70	50	HDIA	biogenic
NC(=O)C[C@@H](c1oc(CN2CCOCC2)cc(=O)c1O)c1ccnc2ccccc12	218095043	XHOXRWIMUITOOH-QGZVFWFLSA-N	409.442	1.733	70	50	HDIA	biogenic
O=c1cc(CN2CCCCC2)oc(CN2CCn3c(nnc3C(F)(F)F)C2)c1O	218433409	FOKRAIBBJHIYCS-UHFFFAOYSA-N	413.400	1.957	70	50	HDIA	
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@H](CO)CCSC)C2=O)cc1	217871741	AOKTYIFAFMAFTA-HOCLYGCPSA-N	409.508	1.126	70	50	HDIA	biogenic
COC(=O)[C@H](C)NC(=O)CCC(=O)N1CCN(c2nsc3ccccc23)CC1	218393237	MBPFIEROHMZANP-ZDUSSCGKSA-N	404.492	1.403	70	50	HDIA	
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCc1nc(Cc2ccccc2)no1	218391802	ROZAZBSCOSDFKO-KRWDZBQOSA-N	419.441	1.808	70	50	HDIA	
Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCc1nnnn1-c1ccccc1	218543698	HBFMXPXBCUUPNA-QGZVFWFLSA-N	408.462	1.550	70	50	HDIA	
O=C(C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NCCCCCc1nnc2ccccn12	218311754	DQBFBWXWNHQSPT-INIZCTEOSA-N	424.461	1.662	70	50	HDIA	
O=C1CC[C@@H](N2Cc3c(cccc3-c3ccc(S(=O)(=O)F)cc3)C2=O)C(=O)N1	1875389729	ZLYAIHYJORHICK-MRXNPFEDSA-N	402.403	1.773	70	50	HDIA	
CC[C@@H](C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O	217621789	WTUQBARDQGWPJY-VHDGCEQUSA-N	405.451	1.139	70	50	HDIA	biogenic
COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1c(O)c(C(=O)OC)c[nH]c1=O	218053231	RGNAMBMKNZIASR-NSHDSACASA-N	421.402	1.588	70	50	HDIA	biogenic
CCOC(=O)c1csc(NC(=O)C[C@@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)n1	218392533	JAOVSFSNLNZZQW-LBPRGKRZSA-N	420.422	1.908	70	50	HDIA	
COC(=O)[C@H](CCSC)NC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O	218317063	LXLWYPNTANHUMR-HNNXBMFYSA-N	409.895	1.975	70	50	HDIA	
COCc1cc(=O)c(O)c([C@H](CC(N)=O)c2coc3ccc(OC)cc3c2=O)o1	217845829	HNEAAIFIHISKTG-GFCCVEGCSA-N	401.371	1.614	70	50	HDIA	biogenic
COc1ccc(N2C(=O)N[C@@H](CC(=O)NCCn3cnc4ccccc43)C2=O)cc1	218557261	PVCVUAIAVYBDCE-KRWDZBQOSA-N	407.430	1.676	70	50	HDIA	
COC(=O)[C@H](CC(C)C)NC(=O)Cn1nc(-c2ccc(OC)cc2F)ccc1=O	218201287	IAEVGRQXHLPZPN-KRWDZBQOSA-N	405.426	1.762	70	50	HDIA	
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(O)c(CN3CCOCC3)o1)CC2	217737591	OZAWSIXOJJJAGC-UHFFFAOYSA-N	416.474	1.753	70	50	HDIA	biogenic
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1ccc(OC(F)(F)F)cc1	218287202	CNTWSDVXCWCSII-NSHDSACASA-N	401.341	1.715	70	50	HDIA	
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cccc(N2CCOCC2)c1	218366356	LHEQWKFIRWAXFI-IBGZPJMESA-N	408.458	1.993	70	50	HDIA	
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)NCc3ccncc3)C2=O)cc1OC	217614205	OWWNFWVYYZOSEW-INIZCTEOSA-N	412.446	1.616	70	50	HDIA	biogenic
O=C(C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O)NCc1nnc2ccccn12	218272574	NXHDGWKUTVZXOT-AWEZNQCLSA-N	412.837	1.510	70	50	HDIA	
COC(=O)C[C@@H](c1ccc(OC)c(OCC(N)=O)c1)c1c(O)ccc2nsnc12	218194986	WXJQSWTUXADPJC-NSHDSACASA-N	417.443	1.965	70	50	HDIA	
O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)NC[C@@H]1CCCN2CCCC[C@H]12	217890887	SYKNUZNEAKWIRA-SLFFLAALSA-N	412.534	1.920	70	50	HDIA	biogenic
COCCn1c([C@H](C)NC(=O)Cn2nc3c(cc2=O)CCCC3)nc2ccccc21	218120954	IXJZDHUNHAHRHV-HNNXBMFYSA-N	409.490	1.996	70	50	HDIA	
COCc1nnc(NC(=O)CC[C@@H]2NC(=O)N(CCc3cccc(F)c3)C2=O)s1	218325165	MBIPCYRRQRDQPX-ZDUSSCGKSA-N	421.454	1.705	70	50	HDIA	
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)N2CCN(S(C)(=O)=O)CC2)n1	218211981	AMGVVQFKQUQHKJ-SFHVURJKSA-N	417.535	1.220	70	50	HDIA	
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]12)NCCc1c[nH]cn1	217864476	QFMMVHRYSCJVNX-FQEVSTJZSA-N	401.426	1.883	70	50	HDIA	biogenic
COc1ccc(Cc2nc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)n[nH]2)cc1	217828246	YJRLWUVEIWRJTG-INIZCTEOSA-N	420.429	1.483	70	50	HDIA	biogenic
O=C(CCOCCOCCN1C(=O)C=CC1=O)Oc1c(F)c(F)c(F)c(F)c1F	110715832	YMKYKJKJMZSGEN-UHFFFAOYSA-N	423.290	1.636	70	50	HDIA	
CC(C)(C)OC(=O)NCCNC(=O)Cn1ccc2c(NS(C)(=O)=O)cccc21	218418755	NFMKRAKYUDXKQU-UHFFFAOYSA-N	410.496	1.654	70	50	HDIA	
COCCn1c(CCNC(=O)Cc2n[nH]c(=O)c3ccccc23)nc2ccccc21	218519442	URVIZLICIFSUPH-UHFFFAOYSA-N	405.458	1.821	70	50	HDIA	
COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N[C@H](CO)C(C)C)C2=O)cc1OC	217832946	OCCXBAKJTUOTNQ-JKSUJKDBSA-N	421.494	1.080	70	50	HDIA	biogenic
COc1ccc2nc(N3CCOCC3)c([C@H](CC(N)=O)c3c(C)[nH][nH]c3=O)cc2c1	218313118	IIBANUFSQHBPQT-HNNXBMFYSA-N	411.462	1.412	70	50	HDIA	
O=C(NCc1ccncc1)[C@H]1[C@H]2C=C[C@@]3(CN(c4ccc5c(c4)OCO5)C(=O)[C@H]13)O2	217524884	BNABLMYXUHGLDW-ONZODILHSA-N	405.410	1.413	70	50	HDIA	biogenic
COC(=O)C[C@H](c1ccc(OC)cc1)c1oc(CN2CCOCC2)cc(=O)c1O	217781626	FTSFEGYKDQAQRV-QGZVFWFLSA-N	403.431	1.881	70	50	HDIA	biogenic
CCN1CCC[C@H]1CNC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	218123868	BFTNKUBUTTYVDD-LPHOPBHVSA-N	411.506	1.621	70	50	HDIA	
COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1oc(CN2CCOCC2)cc(=O)c1O	217625557	VDPWOKAAEOJLQA-OAHLLOKOSA-N	417.414	1.601	70	50	HDIA	biogenic
O=C1[C@@H]2[C@@H]3[C@H](Br)[C@H](Br)[C@H]3C=C[C@H]2N1S(=O)(=O)Cl	101043707	DBDJRMYLAUUFLA-MZNFZHPNSA-N	405.495	1.640	70	50	HDIA	
COc1ccc(NC(=O)COc2coc(CN3CCOCC3)cc2=O)c(OC)c1	218206772	RNVFYUDKOUQORA-UHFFFAOYSA-N	404.419	1.507	70	50	HDIA	
O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)NC[C@@H]1CCCN2CCCC[C@H]12	217707439	WVJJWTZEDHNRFR-RYQLBKOJSA-N	402.495	1.861	70	50	HDIA	biogenic
CCN1CCC[C@@H]1CNC(=O)C[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O	218226895	NKWRFWXZSZUDIA-CVEARBPZSA-N	418.494	1.115	70	50	HDIA	
CC(C)C[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	217607213	AOFUIKDJJOOQST-LPHOPBHVSA-N	414.506	1.934	70	50	HDIA	biogenic
CCN1CCC[C@@H]1CNC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	218123787	BFTNKUBUTTYVDD-APWZRJJASA-N	411.506	1.621	70	50	HDIA	
COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCC(CS(=O)(=O)F)CC3)C2)c1	2325887665	MAWPVGUDHJDLSI-KRWDZBQOSA-N	414.455	1.735	70	50	HDIA	
COC(=O)C[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)c1c(O)cc(C)oc1=O	217992151	KORRVKDJTVVZJH-LBPRGKRZSA-N	413.382	1.962	70	50	HDIA	biogenic
COc1ccc(CN2C(=O)N[C@@H](CC(=O)NC3CC(C)(C)NC(C)(C)C3)C2=O)cc1	218124157	ZKYRGLSMIXUZLN-KRWDZBQOSA-N	416.522	1.931	70	50	HDIA	
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCBr	148213781	KYOVSWOWVSWAII-UHFFFAOYSA-N	400.310	1.972	70	50	HDIA	
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3cccc(C)n3)C2=O)cc1OC	218366723	RWVRKMMEZLMIDT-HNNXBMFYSA-N	412.446	1.899	70	50	HDIA	
COc1cc(N2C[C@@H](C(=O)N[C@H](CO)c3ccccc3)CC2=O)cc(OC)c1OC	218201897	WEADIGDTLMCEJD-DOTOQJQBSA-N	414.458	1.915	70	50	HDIA	
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1cccc(OCc2cccnc2)c1	218168547	DKCDKUQUXLBOAO-QGZVFWFLSA-N	424.457	1.790	70	50	HDIA	
Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)N2CCN(S(C)(=O)=O)CC2)n1	218212065	AMGVVQFKQUQHKJ-GOSISDBHSA-N	417.535	1.220	70	50	HDIA	
CCN1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)cc2)C1=O	218360310	QRXZFZFPYQXLRG-AEFFLSMTSA-N	402.495	1.496	70	50	HDIA	
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@H](CO)C(C)C)C2=O)cc1OC	217661340	GFZNBYWXERKFMV-LSDHHAIUSA-N	407.467	1.038	70	50	HDIA	biogenic
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@H](CO)c3ccccc3)C2=O)cc1	217610172	VVXQADZSYSIAAW-RBUKOAKNSA-N	411.458	1.746	70	50	HDIA	biogenic
COc1ccccc1CCN1C[C@H](C(=O)Nc2ccc3nc[nH]c(=O)c3c2)CC1=O	218271311	UNEDZZGSNDMKSS-OAHLLOKOSA-N	406.442	1.961	70	50	HDIA	
CC(C)Cc1nc(NC(=O)CC[C@@H]2NC(=O)N(Cc3cccc(F)c3)C2=O)n[nH]1	218168457	POOZFTRGXDHPGQ-AWEZNQCLSA-N	402.430	1.982	70	50	HDIA	
N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC(S(=O)(=O)F)CC2)cc1	2325887652	IXIDENNVRJJGAP-UHFFFAOYSA-N	402.469	1.668	70	50	HDIA	
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1cc2ccc(OC)cc2[nH]c1=O	217631704	KMCLBRSSIZIFKW-LBPRGKRZSA-N	410.382	1.843	70	50	HDIA	biogenic
Cn1nnc(-c2ccc(NC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)cc2)n1	218280691	QPCNBEXRKKLKKZ-INIZCTEOSA-N	405.418	1.347	70	50	HDIA	
COCc1cc(=O)c(O)c([C@H](CC(N)=O)c2cc3ccc(OC)cc3n(C)c2=O)o1	217629777	BXHOXJRIMQAZSV-CQSZACIVSA-N	414.414	1.360	70	50	HDIA	biogenic
NC(=O)C[C@@H](C1=Cc2ccccc2OC1)c1oc(CN2CCOCC2)cc(=O)c1O	217960723	DGURTVVYZHTHRG-KRWDZBQOSA-N	412.442	1.613	70	50	HDIA	biogenic
C#Cc1cc(OS(=O)(=O)F)cc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)c1	1875382433	AVDFOCVERMKSRN-UHFFFAOYSA-N	418.328	1.527	70	50	HDIA	
CC(C)[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	217686529	FKVCFYQWTGZITK-ZWKOTPCHSA-N	400.479	1.544	70	50	HDIA	biogenic