smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@@H]1O[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)C[C@@H](O)[C@H]1O	2356778834	FFKHOMAKDDXSBS-WDNOGZGPSA-N	416.382	1.854	10	1	HDCF	
Nc1ccc(CNCc2ccc(CN3CCCNCCNCCCNCC3)cc2)cc1	22035168	WRXILBMKDNKDQT-UHFFFAOYSA-N	424.637	1.923	10	1	HDCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(O)N3CCCCC3)O2)c(=O)[nH]c1=O	29476723	HDMCYJSXCHWYGI-UPJWGTAASA-N	414.359	1.414	10	1	HDCF	
CC[C@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)[C@@H]2C(O)=CC=C[C@H]2C3=O)[C@@H]1C(=O)OC	2356741711	MDUVOMDREZPQPI-MAMNWIFXSA-N	414.410	1.850	10	1	HDCF	
CC[C@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)[C@@H]2C(O)=CC=C[C@@H]2C3=O)[C@@H]1C(=O)OC	2356741712	MDUVOMDREZPQPI-RZTNSXLDSA-N	414.410	1.850	10	1	HDCF	
COc1cc(OC)c2c(c1)C(=O)c1cc(CN(CCO)CCO)cc(OC)c1C2=O	29334207	OIRORJUZFNOAJX-UHFFFAOYSA-N	415.442	1.274	10	1	HDCF	
CN[C@@H]1C=CCOc2cc3c(c(O)c21)C(=O)c1c(cc(OC)c(O)c1C(O)O)C3=O	85486894	JLKNLYPQNJHUTR-SNVBAGLBSA-N	413.382	1.074	10	1	HDCF	biogenic,in-vitro
C[C@@H]1O[C@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)C[C@H](O)[C@H]1O	2356611011	GEPKTNSMKQBALR-LBAFGKTGSA-N	416.382	1.854	10	1	HDCF	
Cc1ccc([C@]2(C(F)(F)F)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c(O)c1	963221800	OPCZGSUPGUQFAY-CKFHNAJUSA-N	420.391	1.988	10	1	HDCF	
O=C1c2cc3c(cc2-c2c1c1cc(F)c(F)cc1c(=O)n2C[C@H](O)CO)OCO3	653705984	ILEBIIJILXMXHG-QMMMGPOBSA-N	401.321	1.573	10	1	HDCF	
CN(C)CC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CN(C)C)cccc1C2=O	73258886	RUCNMPUAGQIUCC-UHFFFAOYSA-N	408.458	1.462	10	1	HDCF	
COc1ccc(N2CCN(C[C@@H](Cc3ccccc3)C(=O)NCC(=O)O)CC2)cc1	1772652505	UWIIFPOXZQZQMD-LJQANCHMSA-N	411.502	1.877	10	1	HDCF	
CN(C)c1ccc([C@H]2SCC(=O)N2NS(=O)(=O)c2cccc(C(=O)O)c2)cc1	1642142	CUYFIUFFEXPVFB-QGZVFWFLSA-N	421.500	1.918	10	1	HDCF	
C[C@@H]1O[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)C[C@H](O)[C@H]1O	2356778833	FFKHOMAKDDXSBS-GUGPRYOUSA-N	416.382	1.854	10	1	HDCF	
CN(C)CCn1nc2c3c(c(NCCN(C)CCO)ccc31)C(=O)c1ccncc1-2	27634654	GTZFOKYZTOINDV-UHFFFAOYSA-N	408.506	1.540	10	1	HDCF	
O=C(O)CC[C@@H](NC(=O)c1cc(/C=C2\SC(=S)NC2=O)ccc1F)C(=O)O	72181416	UUXYOJMVDDGVPN-CHPNCVJKSA-N	412.420	1.362	10	1	HDCF	
O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)c(CN3CCN(CCO)CC3)c(O)c21	1772609464	NWNHBBTZNGTCDF-LJQANCHMSA-N	414.458	1.620	10	1	HDCF	
NCCCNCCCCNCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O	169331704	OYXHYCKHWWIJBY-UHFFFAOYSA-N	408.502	1.709	10	1	HDCF	
CCOP(=O)(Cn1c(=O)c(C)cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c1=O)OCC	29326956	RZVLDHJTQABVOG-JHJVBQTASA-N	417.359	1.501	10	1	HDCF	
COCc1c(O)c(O)c(O)c2c1CO[C@H]2[C@H]1O[C@H](O)c2c(C)c(O)c(O)c(O)c21	84614886	SGZUTXVFZCXYOZ-QYZOEREBSA-N	408.359	1.709	10	1	HDCF	
Cc1ccc(NC=C2C(=O)NC(=O)NC2=O)cc1CN1C(=O)c2ccccc2C1=O	5601867	JIKIPNYIPZCEGC-UHFFFAOYSA-N	404.382	1.453	10	1	HDCF	
[N-]=[N+]=C1c2nonc2C(Br)=C[C@@]12N[C@H](C(=O)O)Cc1cc(F)ccc12	962891464	BKMIJASJIYUUBV-BONVTDFDSA-N	406.171	1.471	10	1	HDCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)(O)Oc3cccnc3)O2)c(=O)[nH]c1=O	52566096	VSOIBFKYOUIBMW-YNEHKIRRSA-N	424.310	1.402	10	1	HDCF	
COC(=O)[C@@H]1c2c(O)c3c(c(O)c2[C@H](O)C[C@]1(C)O)C(=O)[C@H]1C(O)=CC=C[C@@H]1C3=O	2356532826	YVWJMIHCLKAVGS-ZFUOICNJSA-N	416.382	1.166	10	1	HDCF	
CC(C)(C)c1cc(C(C)(C)C)c(S[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(O)c1O	31905035	FONYWEYOJOAYCY-RCWIPLSNSA-N	416.536	1.585	10	1	HDCF	
COc1cccc2c1C(=O)c1c(OC)cc(C[N+]34CN5CN(CN(C5)C3)C4)cc1C2=O	95591186	LOQIEIMDRVZZST-UHFFFAOYSA-N	421.477	1.488	10	1	HDCF	
CN(C[C@@H](O)CO)c1nc2cc(O)c3c(c2s1)C(=O)c1cccc(O)c1C3=O	299834996	UQBJJQFWLTWCAX-MRVPVSSYSA-N	400.412	1.272	10	1	HDCF	
CNS(=O)(=O)N1CCC(c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC1	586955306	FVSLVIMCELQHEF-UHFFFAOYSA-N	424.482	1.982	10	1	HDCF	
Oc1ccc(-c2[o+]c3cc(O[C@H]4OC[C@@H](O)[C@@H](O)[C@@H]4O)cc(O)c3cc2O)cc1O	14645402	ITSUAAYFFATPLH-PHXBYCTMSA-O	419.362	1.021	10	1	HDCF	in-man
Cc1cccc(C)c1/C=C1\SC(=S)N(CC(=O)NN2CCN(C)CC2)C1=O	1857638702	RFRXLFUXYOQTSK-WJDWOHSUSA-N	404.561	1.783	10	1	HDCF	
O=C1COC(=O)N1/C=C/c1cc(NS(=O)(=O)c2cccs2)c2c(c1O)OCO2	218982870	LLQKYCITHDSEFU-ONEGZZNKSA-N	424.412	1.933	10	1	HDCF	
CC[C@@H](C)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O)C(=O)O	2356335155	UVFFSOBWYUVHFJ-CQLKUDPESA-N	413.382	1.808	10	1	HDCF	
COc1cc(C2=C(O)/C(=C(\C(=O)O)c3cc(O)c(O)c(O)c3)OC2=O)ccc1O	238773496	KBDKBXMZZAMROB-SAPNQHFASA-N	402.311	1.839	10	1	HDCF	
C[C@H](CO)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)[C@@H](OC=O)CC[C@]21C	14725046	SAULGKQKWAUSHN-CPPAEMFVSA-N	406.431	1.900	10	1	HDCF	biogenic
COc1cc(CCC(=O)C[C@@H](O)C[C@@H](CO)c2ccc(O)c(O)c2)c(CO)cc1O	2356773591	DACGNZQXVONUJF-YJBOKZPZSA-N	420.458	1.723	10	1	HDCF	
COC(=O)/C(=C1/OC(=O)C(c2ccc(O)c(OC)c2)=C1O)c1cc(O)c(O)c(O)c1	238784084	NGKWCGRNRNNGBY-OBGWFSINSA-N	416.338	1.928	10	1	HDCF	
O=C(OCCOCCOCCO)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O	84758722	YHWRGQNPIKVDIF-UHFFFAOYSA-N	416.382	1.056	10	1	HDCF	
CN(C)c1ccc([C@H]2NC(=S)N=C3[C@@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1	95581293	HFJVZAZVNZURFR-VXGBXAGGSA-N	402.461	1.717	10	1	HDCF	
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H](Cc1cc(O)c(O)c(CCO)c1)C(=O)O	2356467988	MVKOGHNTHPFVEI-KRWDZBQOSA-N	404.371	1.296	10	1	HDCF	
CC1=C(C(=O)NCCOCCOCCN=[N+]=[N-])[C@@H](c2cccc(O)c2)NC(=S)N1	28827188	FHLXLSMEOSORTA-MRXNPFEDSA-N	420.495	1.645	10	1	HDCF	
O=C(NCCCCCCNC(=O)c1ccc(O)c(O)c1O)c1ccc(O)c(O)c1O	299869326	UKMIHJBZEQKANB-UHFFFAOYSA-N	420.418	1.640	10	1	HDCF	
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2C[C@@H](O)Cn1cc(CO)nn1	653861115	DHVOUHYDONXWSD-AWEZNQCLSA-N	402.410	1.358	10	1	HDCF	
COc1c(O)cc2c(c1O)CN1C(=O)[C@H](CC3=Nc4ccccc4C3)NC(=O)[C@H]1C2	2356542593	YHBVIUZTBDHEHX-DLBZAZTESA-N	407.426	1.577	10	1	HDCF	
C/C=C(/C)C(=O)O[C@@H]1[C@@]23O[C@@H]2C[C@H](OC(C)=O)[C@H](C)[C@@]3(C)CC2=C(C)[C@@H](O)O[C@]21O	238758154	OFOIXWJEIIJXIB-MZPNDHIASA-N	422.474	1.737	10	1	HDCF	
NC[C@H](CCCCNC(=O)c1c(O)cccc1F)NC(=O)c1cccc(O)c1O	1857546405	DHSVNLNBGFGCEW-LBPRGKRZSA-N	405.426	1.600	10	1	HDCF	
O=C(COc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1)N1CCOCC1	473154755	LGMBNMVXESGKNH-UHFFFAOYSA-N	413.382	1.814	10	1	HDCF	
C[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)[C@@H]1CC[C@H]([C@H](O)[C@@H]2CC=CC(=O)O2)O1	2356650763	QMGPOYYFOFDFEO-ITVVDXMWSA-N	404.415	1.823	10	1	HDCF	
C[C@H]1O[C@@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)C[C@H](O)[C@H]1O	139098932	GEPKTNSMKQBALR-HRTKDZDBSA-N	416.382	1.854	10	1	HDCF	
NC[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1c(O)cccc1F	1857540215	XIRDBUATCPJVEZ-LBPRGKRZSA-N	405.426	1.600	10	1	HDCF	
C[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)[C@@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1	2356639422	PMVFYHVSZOZDAN-GUIBYOBESA-N	402.399	1.481	10	1	HDCF	
CNC(=S)N(C)CCNc1c2ccccc2nc2c(C(=O)NCCO)cccc12	34774030	ZJLOLEMIORMMNS-UHFFFAOYSA-N	411.531	1.958	10	1	HDCF	
NC[C@@H](CCCCNC(=O)c1cccc(O)c1O)N[C@@H](O)c1cccc(O)c1O	22458019	HQEULXXQFICACJ-ODXCJYRJSA-N	405.451	1.017	10	1	HDCF	biogenic
CC[C@@]1(C(=O)NCCCO)OC(=O)c2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	40402204	AGFFQJQBDIEPIO-HSZRJFAPSA-N	419.437	1.700	10	1	HDCF	
COc1ccc(N2CCN(C[C@H](Cc3ccccc3)C(=O)NCC(=O)O)CC2)cc1	1772652504	UWIIFPOXZQZQMD-IBGZPJMESA-N	411.502	1.877	10	1	HDCF	
CC(=O)O[C@@H]1[C@@H](CN=[N+]=[N-])O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1OC(C)=O	1772612038	JCHCONQLMWBUAK-QYVSTXNMSA-N	410.778	1.133	10	1	HDCF	
CC[C@]1(O)C[C@@H](O)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)O	2356653020	YJLZUBNKPBKHLM-DBLBYYFGSA-N	414.366	1.325	10	1	HDCF	
CN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCCN3CCCCC3)O[C@H](CO)[C@@H]1O2	95901814	HWEAQBDEOFZYHR-GUBFDYSESA-N	417.550	1.739	10	1	HDCF	
CO[C@H]1O[C@@]2(OCc3c(C)c(O)c(O)c(O)c3C2=O)c2c(O)c(O)c(O)c(C)c21	2356325627	QMVOBCWDKWKDII-OALUTQOASA-N	406.343	1.778	10	1	HDCF	
COC(=O)C1=CO[C@H](C)[C@H]([C@@H](O)OC)[C@H]1CC(=O)OCCc1ccc(O)c(O)c1	2356538246	XMISFCZNOJYIOJ-GZDFXIGXSA-N	410.419	1.246	10	1	HDCF	
COc1ccc(C(=O)N2C[C@H]3COCCN3C3(CN(Cc4ccccc4O)C3)C2)cc1	2356696734	NVBYYWBHJNQILA-FQEVSTJZSA-N	423.513	1.812	10	1	HDCF	
O=C(NCCCNCCCNC(=O)c1cccc(O)c1O)c1cccc(O)c1O	13437989	UJPUMUXZPLNLKI-UHFFFAOYSA-N	403.435	1.039	10	1	HDCF	biogenic
CC1=C(C(=O)NCCOCCOCCN=[N+]=[N-])[C@H](c2cccc(O)c2)NC(=S)N1	28827189	FHLXLSMEOSORTA-INIZCTEOSA-N	420.495	1.645	10	1	HDCF	
Cc1cc2c(c3oc([C@@](O)(CO)[C@H]4CO4)cc(=O)c13)C(=O)c1c(O)cccc1C2=O	5836018	WZNWUDKIQDIRSR-QRQCRPRQSA-N	408.362	1.161	10	1	HDCF	biogenic
CCC1(CC)OC(=O)[C@@]2(C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c3ccc(O)c(O)c3)C2)O1	40392766	PRYACTXJELYOCI-RTLDERMSSA-N	422.430	1.367	10	1	HDCF	
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(CN3CCOCC3)c(O)cc(O)c12	40916844	AXRHXXMWCDPIIB-UHFFFAOYSA-N	401.371	1.820	10	1	HDCF	
CN1CCN(Cc2c(O)cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc23)CC1	40916846	TTXKBCYRNKQLGE-UHFFFAOYSA-N	414.414	1.735	10	1	HDCF	
O=C(c1ccccc1)N1C[C@H]2COCCN2C2(CN(Cc3ccc(O)c(O)c3)C2)C1	2356288541	GNPFEYXWFYMWRL-IBGZPJMESA-N	409.486	1.509	10	1	HDCF	
COc1ccc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@H]4C3=O)CC2)cc1	195475162	OAKBAFUSVKYVIF-NBJYBMASSA-N	409.486	1.541	10	1	HDCF	
OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O	95619805	SBBFXSBQYRSIPP-AJYBTWMASA-O	419.362	1.021	10	1	HDCF	in-man
CC[C@@]12O[C@@H]1Cc1c(O)c3c(c(O)c1[C@H]2C(=O)OC)C(=O)c1cccc(O)c1C3=O	5955162	SLOAUJRRFDJQDU-ZQNCNBDLSA-N	410.378	1.939	10	1	HDCF	
NCCCn1c2c(c3ccc(NC(=O)CC(=O)O)cc3c1=O)C(=O)c1ccccc1-2	95585258	BKASBMCJYHQROG-UHFFFAOYSA-N	405.410	1.975	10	1	HDCF	
Cc1oc2c(O)c3c(c(O)c2c1C(=O)N1CCNCC1)C(=O)c1ccccc1C3=O	653717896	UGOUUIPMSSQWND-UHFFFAOYSA-N	406.394	1.973	10	1	HDCF	
NCCCn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1c(O)ccc(O)c1-2	28757145	WVTWTUAOXHOVDG-UHFFFAOYSA-N	411.462	1.002	10	1	HDCF	
O=C1c2ccccc2C(=O)c2c1nnn2Cc1cccc(C(=O)N2CCOCC2)c1	473152459	ULUCIMTXKYSBLM-UHFFFAOYSA-N	402.410	1.574	10	1	HDCF	
O=c1oc2c(CN(CCO)CCO)c(O)ccc2cc1C1=N[C@H]2C=CC=C[C@@H]2S1	28571596	XHLLICFKRJRHAC-WMZOPIPTSA-N	414.483	1.642	10	1	HDCF	
COC(=O)COC(=O)NC12CCC(CC1)[C@H]1C(=O)N(c3ccc(N)cc3)C(=O)[C@H]12	95921302	PWUNEFYJETTWLK-ONXAJMMHSA-N	401.419	1.216	10	1	HDCF	in-vitro
O=S(=O)(/C=C/c1ccc(O)c(O)c1)CS(=O)(=O)/C=C/c1ccc(O)c(O)c1	13646551	ZWYMHLMQJIRSFD-KQQUZDAGSA-N	412.441	1.938	10	1	HDCF	
COC(=O)C(=C1OC(=O)C(c2ccc(O)c(OC)c2)=C1O)c1cc(O)c(O)c(O)c1	2356407865	NGKWCGRNRNNGBY-UHFFFAOYSA-N	416.338	1.928	10	1	HDCF	
O=C1c2cccnc2C(=O)c2c1c(C(=O)NCCCN1CCOCC1)c1ccccn21	473119919	NUWCCXCRLCHTKR-UHFFFAOYSA-N	418.453	1.562	10	1	HDCF	
CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)OCCO)cc1C2=O	84758723	FVMDUDWSJBFDLD-UHFFFAOYSA-N	412.350	1.462	10	1	HDCF	
CN(C)c1ccc(CN[C@@H]2CO[C@@H]3[C@H]2OC[C@H]3n2cc(-c3ccccn3)nn2)cc1	2356835599	KTHIFVQNRIPGIF-CZYKHXBRSA-N	406.490	1.903	10	1	HDCF	
CCOC(=O)/N=N/c1c(C)c(O)c2c(c1O)[C@@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21	3924873	HSRWIMQRLKUMRD-XTKJDECWSA-N	421.410	1.342	10	1	HDCF	
O=c1cc(-c2ccc(O)cc2)oc2c(CN3[C@@H](O)COC[C@H]3O)c(O)cc(O)c12	72124836	FSCFQBKLMFYTNN-HDICACEKSA-N	401.371	1.046	10	1	HDCF	
O=C(NCCCC[C@H](CO)N[C@@H](O)c1cccc(O)c1O)c1cccc(O)c1O	4097136	PMQYPRBUOFBEAY-ODXCJYRJSA-N	406.435	1.051	10	1	HDCF	biogenic
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)n(CCCCBr)c1=O	6009817	VNLZHFGIBSIFIB-WOPDTQHZSA-N	402.249	1.452	10	1	HDCF	
O=C(NCCCC[C@H](CO)N[C@H](O)c1cccc(O)c1O)c1cccc(O)c1O	4097137	PMQYPRBUOFBEAY-MPBGBICISA-N	406.435	1.051	10	1	HDCF	biogenic
COC(=O)[C@@H]1C[C@@]23C(=NN=C(SC)[C@@H]2N(C)c2ccc(OC)cc23)N1C(C)=O	38142318	JIFZUAQRHKJPKF-DOXZYTNZSA-N	402.476	1.634	10	1	HDCF	
COc1c(O)c2c3c(c(O)c(O)c(C)c3c1O)C(=O)[C@](O)(C(C)(C)C(C)=O)C2=O	14693259	NKDAVCHIYATDKS-HXUWFJFHSA-N	404.371	1.705	10	1	HDCF	biogenic
COc1ccc(N2CCN(C(=O)C(=O)Nc3ccc4[nH]c(=O)oc4c3)CC2)cc1F	201148265	FUAUVBGLWYJUJT-UHFFFAOYSA-N	414.393	1.556	10	1	HDCF	
O=C1c2ccccc2C(=O)c2c1nnn2Cc1ccc(C(=O)N2CCOCC2)cc1	473147771	GAAUZXSUFOHWSS-UHFFFAOYSA-N	402.410	1.574	10	1	HDCF	
O=c1oc2c(CN(CCO)CCO)c(O)ccc2cc1C1=N[C@H]2C=CC=C[C@H]2S1	28571598	XHLLICFKRJRHAC-FUHWJXTLSA-N	414.483	1.642	10	1	HDCF	
C[C@]1(O)O[C@H]2c3c(ccc(O)c(O)c3=O)[C@H]1[C@]1(C)OCc3c(ccc(O)c3O)[C@@H]21	2356499606	GYHQGFLONZNARQ-OFJXYMSKSA-N	400.383	1.819	10	1	HDCF	
Cc1cc2c(c3oc([C@](O)(CO)[C@H]4CO4)cc(=O)c13)C(=O)c1c(O)cccc1C2=O	3920456	WZNWUDKIQDIRSR-IVZQSRNASA-N	408.362	1.161	10	1	HDCF	biogenic
C[C@H](O)[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@@H](O)[C@H]1O	85925168	XHQNBUMWFVBMCJ-FKXPPBEWSA-N	416.382	1.078	10	1	HDCF	
COc1c(O)cc2c(c1O)CN1C(=O)[C@@H](CC3=Nc4ccccc4C3)NC(=O)[C@@H]1C2	2356542595	YHBVIUZTBDHEHX-SJORKVTESA-N	407.426	1.577	10	1	HDCF	
O=c1c(O[C@@H]2CC[C@H](CO)O2)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12	2356713603	NCALNGRAOGFYSK-MEBBXXQBSA-N	418.354	1.864	10	1	HDCF	
C[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@H]1O	59736960	KIJPCEZNJSGANY-NCRBYSTQSA-N	416.382	1.078	10	1	HDCF	
Nc1ccc(CCC(=O)Nc2ccc(CCC(=O)N3CC[C@@H](O)[C@H](O)C3)cc2)cc1	1857646772	QQGIGNOEPFLNPF-NHCUHLMSSA-N	411.502	1.727	10	1	HDCF	
CCN(CC)Cc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1O	13727936	SBHJKYICKNPBFJ-UHFFFAOYSA-N	404.535	1.776	10	1	HDCF	
O=C(O)[C@@H]1CC[C@@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)c(O)c(=O)c3c2O)N1	14679701	LVUZHQLPXAZQHE-IUCAKERBSA-N	415.354	1.866	10	1	HDCF	biogenic
COCCOCCOc1c(O)ccc(C(=O)Oc2cc(C(=O)O)cc(O)c2O)c1O	40833909	GESNYPMFGHMZEE-UHFFFAOYSA-N	424.358	1.468	10	1	HDCF	
COc1cccc([C@H]2N[C@](CCSC)(C(=O)O)[C@@H]3C(=O)N(C(C)C)C(=O)[C@@H]23)c1O	104112280	XIJJZKASKOJNGG-ODCFSMADSA-N	422.503	1.631	10	1	HDCF	
CC(C)C(=O)O[C@@H]1c2c(c3c(n2C#N)C(=O)c2c(O)cccc2C3=O)[C@H](O)[C@@H]2O[C@@]21C	14851615	WMTZPTDZOUFHEI-CUXKYVRBSA-N	422.393	1.743	10	1	HDCF	biogenic
COC(=O)[C@@H]1C[C@]23C(=NN=C(SC)[C@@H]2N(C)c2ccc(OC)cc23)N1C(C)=O	72121395	JIFZUAQRHKJPKF-YZVOILCLSA-N	402.476	1.634	10	1	HDCF	
O=c1oc2c(CN(CCO)CCO)c(O)ccc2cc1C1=N[C@@H]2C=CC=C[C@H]2S1	28571597	XHLLICFKRJRHAC-SJLPKXTDSA-N	414.483	1.642	10	1	HDCF	
O=C(/C=C\c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccccc1)C(=O)O	199754476	RHQXHDXIEARXSC-RAHDXVCUSA-N	402.355	1.166	10	1	HDCF	
O=C1NC(=S)N=C(O)/C1=C/NNC(=S)Nc1ccc(Br)cc1	96930163	AQNHWMHKEPXQCB-UHFFFAOYSA-N	400.283	1.495	10	1	HDCF	
O=S(=O)(CCc1ccc(O)c(O)c1)CS(=O)(=O)CCc1ccc(O)c(O)c1	28642699	OHJIAKGUVSSPGW-UHFFFAOYSA-N	416.473	1.081	10	1	HDCF	
O=c1c(O[C@H]2CC[C@H](CO)O2)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12	2356713601	NCALNGRAOGFYSK-BMIGLBTASA-N	418.354	1.864	10	1	HDCF	
CC(=O)Oc1ccc([C@@]2(C)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c(O)c1	963217550	HBPAANAFZVJUQD-QYWGDWMGSA-N	410.430	1.062	10	1	HDCF	
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCN3CC3)ccc(NCCN3CC3)c21	5117118	ZPZRBEQVXJAXHM-UHFFFAOYSA-N	408.458	1.328	10	1	HDCF	
Oc1ccc(C/N=N/c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1O	169686949	IQLUVUGIWHGTNI-BSYVCWPDSA-N	400.439	1.845	10	1	HDCF	
CN(C)CC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CN(C)C)ccc1C2=O	40954879	BQUQDCVNESTXAU-UHFFFAOYSA-N	408.458	1.462	10	1	HDCF	in-vivo
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(O)N3CCCCC3)O2)c(=O)[nH]c1=O	29476737	HDMCYJSXCHWYGI-YNEHKIRRSA-N	414.359	1.414	10	1	HDCF	
Cc1cc2c(c3oc([C@](O)(CO)[C@@H]4CO4)cc(=O)c13)C(=O)c1c(O)cccc1C2=O	5836013	WZNWUDKIQDIRSR-OYHNWAKOSA-N	408.362	1.161	10	1	HDCF	biogenic
CCCCN[P@](=O)(O)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	29477011	HXNLEXMOLQHXRG-QJPTWQEYSA-N	402.348	1.318	10	1	HDCF	
NCc1cn(C[C@H](O)Cn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)nn1	653859708	XUXRJYZXSLYQPA-AWEZNQCLSA-N	401.426	1.324	10	1	HDCF	
COc1ccc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)cc1	2940360	OAKBAFUSVKYVIF-IFCLKOLQSA-N	409.486	1.541	10	1	HDCF	
CCOC(=O)C1=C(O)c2cc(N)c(N3CCN(C)CC3)cc2N(C2CC2)S1(=O)=O	169327258	DUVYNJBKTDHBAV-UHFFFAOYSA-N	422.507	1.123	10	1	HDCF	
NCCCN(CCCN)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O	6535871	HUHBNNVFLMYFIE-UHFFFAOYSA-N	401.488	1.150	10	1	HDCF	in-vitro
O=S1(=O)CCN(c2ccc(OC[C@@H](O)CN3CCc4ccccc4C3)cc2)CC1	219727933	JILOZZRILDDCRB-NRFANRHFSA-N	416.543	1.719	10	1	HDCF	
Cc1ccc(/C=C/C(=O)O[C@@H](Cc2ccc(O)c(O)c2)C(=O)O)c(CC(=O)O)c1O	238733021	UMPZKDHDIZUVTO-UABRLCRWSA-N	416.382	1.991	10	1	HDCF	
COC(=O)/C(=C1\OC(=O)c2c1oc(=O)c1cc(O)c(O)cc21)c1ccc(O)c(O)c1	238765334	IOSOZXURFAOWST-PEZBUJJGSA-N	412.306	1.827	10	1	HDCF	
COC(=O)[C@@H]1c2c(O)c3c(c(O)c2[C@H](O)C[C@]1(C)O)C(=O)[C@@H]1C(O)=CC=C[C@H]1C3=O	2356532823	YVWJMIHCLKAVGS-MIOFVWGHSA-N	416.382	1.166	10	1	HDCF	
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)c(CN3CCOCC3)c(O)c12	261178376	VLLAWVCLQVMWBP-UHFFFAOYSA-N	401.371	1.820	10	1	HDCF	
CC[C@@]1(O)CCc2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O	14686645	KXNYQVVGFPFVJR-KSFYIVLOSA-N	412.394	1.923	10	1	HDCF	biogenic
CN(C)CCCn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1ccncc1-2	27635386	QCIAQSNWNYMNDM-UHFFFAOYSA-N	408.506	1.588	10	1	HDCF	
CCCCO[C@@H]1[C@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C[C@@]1(O)[C@H](O)CC(=O)O	238784445	JLQVVYXIVAEDIW-LUZDRWQYSA-N	410.419	1.179	10	1	HDCF	
O=C(C=Cc1ccc(O)c(O)c1)OCC(O)COC(=O)C=Cc1ccc(O)c(O)c1	2356535644	GCOCYKNNHZZJTR-UHFFFAOYSA-N	416.382	1.683	10	1	HDCF	
COc1ccc(-n2nnnc2CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1	9570415	QHENGIJFCNBZCO-ZDUSSCGKSA-N	410.409	1.479	10	3	HDCF	
COC(=O)[C@@H]1c2c(O)c3c(c(O)c2[C@H](O)C[C@]1(C)O)C(=O)[C@@H]1C(O)=CC=C[C@@H]1C3=O	2356532824	YVWJMIHCLKAVGS-QUBDXRFESA-N	416.382	1.166	10	1	HDCF	
C[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@H]1O	59736958	KIJPCEZNJSGANY-SICOIOHGSA-N	416.382	1.078	10	1	HDCF	
CN(C)c1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NCCN3CCCCC3)O[C@@H](CO)[C@@H]1O2	95901815	HWEAQBDEOFZYHR-QXPQREGVSA-N	417.550	1.739	10	1	HDCF	
CO[C@@H]1O[C@@]2(OCc3c(C)c(O)c(O)c(O)c3C2=O)c2c(O)c(O)c(O)c(C)c21	2356325621	QMVOBCWDKWKDII-MOPGFXCFSA-N	406.343	1.778	10	1	HDCF	
COc1cc(CC[C@H](O)CC(=O)CCc2ccc(O)c(OCN)c2)cc(O)c1O	2356632027	UZNKGJJKXAZCCY-INIZCTEOSA-N	405.447	1.993	10	1	HDCF	
CCOC(=O)C(CC(=O)c1cc(OC)ccc1N(C)C)(NC(C)=O)C(=O)OCC	26651942	ZTFILDKOOPQNFK-UHFFFAOYSA-N	408.451	1.335	10	1	HDCF	
COC(=O)C1=Cc2cc(O)c(O)cc2[C@H](c2ccc(C(=O)O)oc2=O)[C@H]1C(=O)O	85951034	OPPJWDNHDLWRTA-GJZGRUSLSA-N	402.311	1.152	10	1	HDCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](COC(=O)OCCCCCCO)O2)c(=O)[nH]c1=O	38145220	XHODDRASZPZHRF-IHRRRGAJSA-N	411.415	1.517	10	1	HDCF	
O=C(/C=C/c1ccc(O)c(O)c1)OCC(O)COC(=O)/C=C/c1ccc(O)c(O)c1	202120491	GCOCYKNNHZZJTR-FCXRPNKRSA-N	416.382	1.683	10	1	HDCF	
CO[C@@H]1O[C@]2(OCc3c(C)c(O)c(O)c(O)c3C2=O)c2c(O)c(O)c(O)c(C)c21	2356325637	QMVOBCWDKWKDII-RTBURBONSA-N	406.343	1.778	10	1	HDCF	
CC1=NC(=S)N[C@@H](c2cccc(O)c2)[C@@H]1C(=O)NCCOCCOCCN=[N+]=[N-]	169720079	PBWZQQZONNIHHZ-CVEARBPZSA-N	420.495	1.858	10	1	HDCF	
O=C(C=Cc1ccc(O)cc1)OC[C@@H](O)COC(=O)C=Cc1ccc(O)c(O)c1	2356743447	DISOMVQPNGKRHO-QGZVFWFLSA-N	400.383	1.977	10	1	HDCF	
C[C@@H]1O[C@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@H]1O	2356578894	KIJPCEZNJSGANY-BEUDBMOISA-N	416.382	1.078	10	1	HDCF	
CC(=O)Oc1c(-c2ccc(O)cc2)c(O)c2oc3c(c2c1OC(C)=O)=CC(=O)C(=O)C=3	238735429	UFDBXYDWQWRFQT-UHFFFAOYSA-N	422.345	1.074	10	1	HDCF	
C[C@@H]1O[C@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)C[C@@H](O)[C@H]1O	2356611010	GEPKTNSMKQBALR-KUFVCKIKSA-N	416.382	1.854	10	1	HDCF	
CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(C=[N+]=[N-])c1cnccn1	963140064	IQGRZWZRLDPFIQ-PIGZYNQJSA-N	402.436	1.724	10	1	HDCF	
COc1ccc(N2CCN(S(=O)(=O)c3ccc(-n4cnnn4)c(C)c3)CC2)cc1	1342025	XDOHZNZPFUOZKW-UHFFFAOYSA-N	414.491	1.490	10	3	HDCF	
C[C@H](NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(N2CCOCC2)cc1	27200327	FQVMMEMVIKKDDW-HNNXBMFYSA-N	424.505	1.806	10	1	HDCF	
Cn1c(OC2CCN(c3ccc4c(c3)CNC4)CC2)nc(-c2ccncn2)cc1=O	146518789	DPEZRMOSCYGVPY-UHFFFAOYSA-N	404.474	1.888	10	1	HDCF	
CCCc1cc2c(c(O)c1C(=O)O)C(=O)c1c(O)cc(OS(=O)(=O)O)cc1C2=O	14819827	WPSPJNSPTRMIDW-UHFFFAOYSA-N	422.367	1.706	10	1	HDCF	biogenic
CCCOCCn1c(=O)c(NCC(=O)O)nc2cnc(-c3ccc(OC)nc3)cc21	45245774	RGEHNPGBTZRWSG-UHFFFAOYSA-N	413.434	1.785	10	1	HDCF	
CNCCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CCNC)cccc1C2=O	73293444	SRPZQHDNVQZCMH-UHFFFAOYSA-N	408.458	1.558	10	1	HDCF	
CNCc1cc(CCC(=O)CC(=O)CCC[C@H](C)NC(=N)NC)cc(OC)c1O	85627161	IXFIKBGMQZHLSX-AWEZNQCLSA-N	406.527	1.884	10	1	HDCF	biogenic,in-vitro
COc1ccc2cc(/C=C3\SC(=S)N(CC(=O)O)C3=O)c3nnnn3c2c1	653918429	DAJDTXAZYBXPRG-XGICHPGQSA-N	401.429	1.572	10	1	HDCF	
NCCCC[C@@H](N)C(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	64453547	INXQLEKHRFKMNA-LJQANCHMSA-N	418.497	1.785	10	1	HDCF	
COc1cccc(C(=O)NCCCC[C@@H](CO)NC(=O)c2cccc(O)c2O)c1O	2356715054	OWDSZEMEKNNHAH-ZDUSSCGKSA-N	418.446	1.503	10	1	HDCF	
O=C(OCCF)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	36380534	DJBIOZNHPSGMHQ-HKWRFOASSA-N	402.295	1.398	10	1	HDCF	
COC(=O)[C@@H]1c2c(O)c3c(c(O)c2[C@H](O)C[C@]1(C)O)C(=O)[C@H]1C(O)=CC=C[C@H]1C3=O	2356532825	YVWJMIHCLKAVGS-VRSXREENSA-N	416.382	1.166	10	1	HDCF	
Cc1ccc(S(=O)(=O)C2=c3ncccc3=C3C(=O)c4ccccc4C(=O)[C@@H]32)cc1	1634464	ACEWXYWGLWTBDY-LJQANCHMSA-N	401.443	1.832	10	1	HDCF	
COC(=O)[C@@H]1C[C@]23C(=NN=C(SC)[C@H]2N(C)c2ccc(OC)cc23)N1C(C)=O	169336331	JIFZUAQRHKJPKF-QMTMVMCOSA-N	402.476	1.634	10	1	HDCF	
COc1ccc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@@H]5C=C[C@H](C5)[C@@H]4C3=O)CC2)cc1	195475169	OAKBAFUSVKYVIF-RFZJPIJTSA-N	409.486	1.541	10	1	HDCF	
N=C(N)NCCNc1c2c(c(NCCN)c3sccc13)C(=O)c1ccccc1C2=O	299830125	MSSOJFBSZOMASE-UHFFFAOYSA-N	422.514	1.942	10	1	HDCF	
CO[C@H]1O[C@@]2(OCc3c(C)c(O)c(O)c(O)c32)C(=O)c2c(O)c(O)c(O)c(C)c21	2356702512	HLJRCSGHNKUEEE-RBUKOAKNSA-N	406.343	1.778	10	1	HDCF	
CCN(CC)C(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	36380532	SWUNUSTXRUQBKZ-JWGURIENSA-N	411.375	1.754	10	1	HDCF	
CC[C@@]1(O)CCc2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)OC	5954892	IJRICRPCKTYENC-HTAPYJJXSA-N	412.394	1.923	10	1	HDCF	biogenic
Cc1oc2c(c1C(=O)OCCCn1ccc(=[N+](C)C)cc1)C(=O)c1ncccc1C2=O	1857537059	XZDFSMDCOOEURC-UHFFFAOYSA-N	420.445	1.839	10	1	HDCF	
CC(C)CN1C(=S)N(Cc2ccc(N(C)C)cc2)[C@H]2[C@@H]1[C@@H]1C[C@H](O)[C@@H]2OC1=O	2356839443	LUMGNVZMHWWERC-VMXHOPILSA-N	403.548	1.855	10	1	HDCF	
C[C@@H]1O[C@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@H](O)[C@H]1O	2356578897	KIJPCEZNJSGANY-VTMIBLTBSA-N	416.382	1.078	10	1	HDCF	
CC(C)(C)c1cc(C(C)(C)C)c(S[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(O)c1O	5950594	FONYWEYOJOAYCY-BKSSYAALSA-N	416.536	1.585	10	1	HDCF	
O=C1CC2=CC(=[S@](=O)(O)N3CCN(c4ccc(C(=O)O)cc4)CC3)C=CC2=N1	888075864	HPZOLNWMTUKWAR-UHFFFAOYSA-N	401.444	1.219	10	1	HDCF	
CC[C@@H](C)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O)C(=O)O	1857752780	UVFFSOBWYUVHFJ-RBHXEPJQSA-N	413.382	1.808	10	1	HDCF	
CCOc1cc(=O)c(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C(=O)O)coc1=O	64539840	SKJXNQRZYGWNQO-MQDFFIGUSA-N	418.354	1.062	10	1	HDCF	
C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1	49793372	PMVFYHVSZOZDAN-LWYIJYHOSA-N	402.399	1.481	10	1	HDCF	
O=c1oc2c(CN(CCO)CCO)c(O)ccc2cc1C1=N[C@@H]2C=CC=C[C@@H]2S1	28571595	XHLLICFKRJRHAC-AEFFLSMTSA-N	414.483	1.642	10	1	HDCF	
O=C(NCCCC[C@@H](CO)N[C@@H](O)c1cccc(O)c1O)c1cccc(O)c1O	4097134	PMQYPRBUOFBEAY-YUNKPMOVSA-N	406.435	1.051	10	1	HDCF	biogenic
CCOP(=O)(Cn1c(=O)c(C)cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c1=O)OCC	13605773	RZVLDHJTQABVOG-YNEHKIRRSA-N	417.359	1.501	10	1	HDCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)n(CCCCCBr)c1=O	40786382	SFDWIXVJVPNTJQ-AGIUHOORSA-N	416.276	1.842	10	1	HDCF	
COC(=O)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O)C(C)C	1857636936	MJPQABXBKRQYAG-KRWDZBQOSA-N	413.382	1.506	10	1	HDCF	
Cn1c(Cc2nc(-c3cnccn3)no2)nnc1Sc1ncc([N+](=O)[O-])s1	40893772	XBIGZIJKGPCNPK-UHFFFAOYSA-N	403.409	1.762	10	1	HDCF	
CC[C@@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)[C@@H]2C(O)=CC=C[C@H]2C3=O)[C@H]1C(=O)OC	238740496	MDUVOMDREZPQPI-WCOVAGRPSA-N	414.410	1.850	10	1	HDCF	
Nc1nc(/N=N/CCC2CCCCC2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	169729392	FKLACQUREMIBCI-CARDLFJDSA-N	405.459	1.074	10	1	HDCF	
COc1ccc2cc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)c3nnnn3c2c1	653721434	XANAHYCIDRRKEW-QPEQYQDCSA-N	415.456	1.962	10	1	HDCF	
Cc1oc2c(c1C(=O)OCCc1cn(CCC(=O)O)nn1)C(=O)c1ncccc1C2=O	1857643716	CBTZOBXJBVBNBB-UHFFFAOYSA-N	424.369	1.224	10	1	HDCF	
Oc1ccc(-c2[o+]c3cc(O[C@@H]4OC[C@@H](O)[C@@H](O)[C@@H]4O)cc(O)c3cc2O)cc1O	14645398	ITSUAAYFFATPLH-LBKNJMOBSA-O	419.362	1.021	10	1	HDCF	in-man
COC(=O)CN(Cc1ccccc1O)C[C@H]1CN(Cc2ccccc2O)CC(=O)O1	28237436	ZCDDEZQHDWRXET-SFHVURJKSA-N	414.458	1.500	10	1	HDCF	
C[C@H](/N=N/c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccc(F)cc1	82018945	XLJIBBSJEHKEFK-UUZFCHHISA-N	417.401	1.004	10	1	HDCF	
O=C1c2ccccc2C(=O)c2c(OCCOCCO)ccc(OCCOCCO)c21	96938913	PGMXWJIEPBLPCD-UHFFFAOYSA-N	416.426	1.237	10	1	HDCF	
O=C(NCCCC[C@@H](CO)NC(=O)c1c(O)cccc1F)c1cccc(O)c1O	2356828551	IHZREENXPVYAPH-LBPRGKRZSA-N	406.410	1.634	10	1	HDCF	
COc1ccc2c(c1)cc(/C=C1\SC(=S)N(CC(=O)O)C1=O)c1nnnn12	653917173	ICWLIYNAYWQFHP-SDQBBNPISA-N	401.429	1.572	10	1	HDCF	
O=[N+]([O-])c1nonc1Oc1nonc1N=Nc1nonc1Oc1nonc1[N+](=O)[O-]	621431370	UMHPQQXXOFDSLP-UHFFFAOYSA-N	424.162	1.035	10	1	HDCF	
N[C@@H](CCC(=O)O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1	28712743	PZOUNEYDSOPIOW-NSHDSACASA-N	415.354	1.674	10	1	HDCF	
CN(C)c1ccc([C@@H]2SCC(=O)N2NS(=O)(=O)c2cccc(C(=O)O)c2)cc1	5741675	CUYFIUFFEXPVFB-KRWDZBQOSA-N	421.500	1.918	10	1	HDCF	
CC[C@@]1(C(=O)NCCO)OC(=O)c2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1	40408135	QKCWIRYAOILWJE-JOCHJYFZSA-N	405.410	1.309	10	1	HDCF	
O=C(OCCCN1CCOCC1)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O	209347100	BDVLTPLWDUUIKS-UHFFFAOYSA-N	411.410	1.752	10	1	HDCF	
CCO[P@@](=O)(OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])C(N)=O	27109982	YSOFWAOVZULPNZ-BLKCOFBUSA-N	402.304	1.136	10	1	HDCF	
CNS(=O)(=O)c1cc(O)c(O)c2c1CN(Cc1ccc(F)c(Cl)c1)C2=O	95563736	MHQLCRRZRKKSLG-UHFFFAOYSA-N	400.815	1.954	10	1	HDCF	
NC[C@H](CCCCNC(=O)c1cccc(O)c1O)N[C@H](O)c1cccc(O)c1O	22458013	HQEULXXQFICACJ-FKIZINRSSA-N	405.451	1.017	10	1	HDCF	biogenic
CN[C@H]1C=CCOc2cc3c(c(O)c21)C(=O)c1c(cc(OC)c(O)c1C(O)O)C3=O	2356430341	JLKNLYPQNJHUTR-JTQLQIEISA-N	413.382	1.074	10	1	HDCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)OCCCCCCO)O2)c(=O)[nH]c1=O	26825106	XHODDRASZPZHRF-BFHYXJOUSA-N	411.415	1.517	10	1	HDCF	
O=C(CCN1CCN(CCCO)CC1)Nc1cccc2c1C(=O)c1ccccc1C2=O	22864257	RVNVFOCQZAOSMS-UHFFFAOYSA-N	421.497	1.791	10	1	HDCF	
Nc1nc(/N=N/CCCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	169729393	ZBPSWFVWBDHYFA-DXWZXWTDSA-N	419.486	1.464	10	1	HDCF	
CN(C)c1ccc(CN[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3n2cc(-c3ccccn3)nn2)cc1	2356835600	KTHIFVQNRIPGIF-YSFYHYPLSA-N	406.490	1.903	10	1	HDCF	
COc1cccc([C@H]2N[C@@](CCSC)(C(=O)O)[C@H]3C(=O)N(C(C)C)C(=O)[C@H]23)c1O	103004781	XIJJZKASKOJNGG-LYKCQVCGSA-N	422.503	1.631	10	1	HDCF	
[N-]=[N+]=NCCOCCOCCOc1nc(N)c2nc(O)n(Cc3ccccc3)c2n1	40565782	ALSMAUCTOMEDPK-UHFFFAOYSA-N	414.426	1.885	10	1	HDCF	
CC1=NC(=S)N[C@H](c2cccc(O)c2)[C@@H]1C(=O)NCCOCCOCCN=[N+]=[N-]	169720080	PBWZQQZONNIHHZ-HZPDHXFCSA-N	420.495	1.858	10	1	HDCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](COC(=O)OCCCCCCO)O2)c(=O)[nH]c1=O	26825099	XHODDRASZPZHRF-MJBXVCDLSA-N	411.415	1.517	10	1	HDCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)n(CCCCBr)c1=O	6009815	VNLZHFGIBSIFIB-SRVKXCTJSA-N	402.249	1.452	10	1	HDCF	
CCNCC(=O)Nc1cccc2c1C(=O)c1c(NC(=O)CNCC)cccc1C2=O	73258697	CZXCCHVNMYUWIE-UHFFFAOYSA-N	408.458	1.558	10	1	HDCF	
CC=C1CN2[C@H]3C[C@@]45c6cc(OC)ccc6N(C)[C@@]4(O3)[C@H]2C[C@H]1[C@@]5(CO)C(=O)OC	2356766956	JQJQNLIWQQKVAT-MVXLNSDZSA-N	412.486	1.641	10	1	HDCF	
COc1cc(C2=C(O)C(=C(C(=O)O)c3cc(O)c(O)c(O)c3)OC2=O)ccc1O	2356409462	KBDKBXMZZAMROB-UHFFFAOYSA-N	402.311	1.839	10	1	HDCF	
CC(C)(C)c1cc(C(C)(C)C)c(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(O)c1O	299815374	FONYWEYOJOAYCY-LRYCJUJYSA-N	416.536	1.585	10	1	HDCF	
COc1c(O)cc2c(c1O)CN1C(=O)[C@H](CC3=Nc4ccccc4C3)NC(=O)[C@@H]1C2	2356542594	YHBVIUZTBDHEHX-IRXDYDNUSA-N	407.426	1.577	10	1	HDCF	
COc1cccc([C@@H]2N[C@@](CCSC)(C(=O)O)[C@H]3C(=O)N(C(C)C)C(=O)[C@@H]32)c1O	103004784	XIJJZKASKOJNGG-LDNFRZNASA-N	422.503	1.631	10	1	HDCF	
CC(C)CN1C(=S)N(Cc2ccc(N(C)C)cc2)[C@H]2[C@@H]1[C@@H]1C[C@@H](O)[C@@H]2OC1=O	2356839442	LUMGNVZMHWWERC-PJVZLEMVSA-N	403.548	1.855	10	1	HDCF	
Cc1oc2c(N)c3c(c(N)c2c1C(=O)N1CC[C@H](N)C1)C(=O)c1ccccc1C3=O	1857760236	HGPIRJYUSXWBIE-JTQLQIEISA-N	404.426	1.854	10	1	HDCF	
COC(=O)[C@@H]1c2c(O)c3c(c(O)c2[C@@H](O)C[C@@]1(C)O)C(=O)c1c(O)cccc1C3=O	14858147	OLCGHTZQNXBXMQ-GSOWBQNUSA-N	414.366	1.024	10	1	HDCF	biogenic
COCc1c(O)c(O)c(O)c2c1CO[C@H]2[C@H]1O[C@@H](O)c2c(C)c(O)c(O)c(O)c21	84614889	SGZUTXVFZCXYOZ-CEXWTWQISA-N	408.359	1.709	10	1	HDCF	
COc1cc(O)c([C@@]2(C)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc1OC	963215871	NRWYCMXCJNAXQN-RXSFTSLZSA-N	412.446	1.154	10	1	HDCF	
C[C@]1(O)O[C@H]2c3c(ccc(O)c(O)c3=O)[C@H]1[C@@]1(C)OCc3c(ccc(O)c3O)[C@@H]21	2356499610	GYHQGFLONZNARQ-ZTIIYBLCSA-N	400.383	1.819	10	1	HDCF	
O=C(C=Cc1ccc(O)c(O)c1)O[C@H](Cc1cc(O)c(O)c(CCO)c1)C(=O)O	2356467989	MVKOGHNTHPFVEI-QGZVFWFLSA-N	404.371	1.296	10	1	HDCF	
C[C@@H]1O[C@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)C[C@@H](O)[C@@H]1O	2356611009	GEPKTNSMKQBALR-KHWOILTASA-N	416.382	1.854	10	1	HDCF	
CC[C@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@@H]1C(=O)O	2356653021	YJLZUBNKPBKHLM-KAJFERSBSA-N	414.366	1.325	10	1	HDCF	
CCOC(=O)CCNC(=O)N1CCC[C@H](N2CCN(c3ccc(OC)cc3)CC2)C1	61688089	LTKYKJZUVWOMQH-IBGZPJMESA-N	418.538	1.944	10	3	HDCF	
COC(=O)[C@@H]1C[C@@]23C(=NN=C(SC)[C@H]2N(C)c2ccc(OC)cc23)N1C(C)=O	38142319	JIFZUAQRHKJPKF-KHYOSLBOSA-N	402.476	1.634	10	1	HDCF	
CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCCN3CCCCC3)O[C@@H](CO)[C@H]1O2	95901812	HWEAQBDEOFZYHR-YZBYQZESSA-N	417.550	1.739	10	1	HDCF	
CC(C)(C)c1cc(C(C)(C)C)c(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1O	299815376	FONYWEYOJOAYCY-OVIXYOJMSA-N	416.536	1.585	10	1	HDCF	
CN(C)c1ccc2c(c1)[C@H]1C[C@H](CC(=O)NCCN3CCCCC3)O[C@H](CO)[C@H]1O2	95901816	HWEAQBDEOFZYHR-LHWDRQQYSA-N	417.550	1.739	10	1	HDCF	
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(=N)N)cc1)c1ccc(N2CCOCC2)cc1	27200320	FQVMMEMVIKKDDW-OAHLLOKOSA-N	424.505	1.806	10	1	HDCF	
COC(=O)C(=O)Nc1ccc2c3c(n(CCCN)c(=O)c2c1)-c1ccccc1C3=O	95593679	CGKWENCMZIHWAP-UHFFFAOYSA-N	405.410	1.673	10	1	HDCF	
CC1(C)[C@](O)(C(=O)O)C[C@](C)(O)[C@@](C)(O)[C@@]1(C)OC(=O)/C=C/c1ccc(O)c(O)c1	957844782	MAZFQYBNBNCFKH-FZVDBVKVSA-N	424.446	1.161	10	1	HDCF	
N[C@H](CCCCNC(=O)Cn1ccnc1/N=N/c1ccc([N+](=O)[O-])cc1)C(=O)O	1772635730	QUCFFFFROSRANS-CTBAPTLKSA-N	403.399	1.905	10	1	HDCF	
COc1ccc(Nc2ccn([C@@H]3O[C@@](CO)(N=[N+]=[N-])[C@@H](O)[C@@H]3F)c(=O)n2)c(OC)c1	149783627	RDPFFIGEYVPXJS-LJIGWXMPSA-N	422.373	1.231	10	1	HDCF	
CN1CCN(NC(=O)c2coc3c(O)c4c(c(O)c23)C(=O)c2ccccc2C4=O)CC1	1857647331	WSXZFALBIUQRDF-UHFFFAOYSA-N	421.409	1.512	10	1	HDCF	
COC(=O)[C@H]1C[C@]23C(=NN=C(SC)[C@@H]2N(C)c2ccc(OC)cc23)N1C(C)=O	72121396	JIFZUAQRHKJPKF-ZRGWGRIASA-N	402.476	1.634	10	1	HDCF	
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O)C[C@@]1(C)O)C(=O)c1c(O)ccc(O)c1C3=O	14684524	ZBSRQGXAWDQXFX-SBOBAANCSA-N	414.366	1.024	10	1	HDCF	biogenic,in-vitro
CN(C)c1ccc([C@@H]2SCC(=O)N2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1	73138444	FPULHXSNKIIKJS-NRFANRHFSA-N	424.482	1.654	10	1	HDCF	
Nc1ccc(CCC(=O)Nc2ccc(CCC(=O)N3CC[C@H](O)[C@H](O)C3)cc2)cc1	1857641722	QQGIGNOEPFLNPF-LEWJYISDSA-N	411.502	1.727	10	1	HDCF	
C[C@@H]1O[C@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O	2356578896	KIJPCEZNJSGANY-JKLBBNEQSA-N	416.382	1.078	10	1	HDCF	
Nc1nc(/N=N/CCCC2CCCCC2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	169729394	ZBPSWFVWBDHYFA-PQEHXPDYSA-N	419.486	1.464	10	1	HDCF	
CCCCO[C@@H]1[C@H](OC(=O)C=Cc2ccc(O)c(O)c2)C[C@]1(O)[C@H](O)CC(=O)O	2356379147	JLQVVYXIVAEDIW-SMOSDQRPSA-N	410.419	1.179	10	1	HDCF	
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@H](O)C[C@@]1(O)CC(C)=O)C(=O)c1ccccc1C3=O	2356443654	SSNLJFDIUQVYAC-TWWFPWMWSA-N	424.405	1.572	10	1	HDCF	
O=C(O)C[C@@H](O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)C(=O)O	140117411	NSNRQKWIGKNCIC-JFIYKMOQSA-N	406.343	1.498	10	1	HDCF	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(CC(C)=O)C[C@@H]3O	15215757	KLESOPBVLWEGHY-YTEVENLXSA-N	412.394	1.572	10	1	HDCF	biogenic
CCCOCCn1c(=O)c(NCC(N)=O)nc2cnc(-c3ccc(OC)nc3)cc21	45288498	GSLDWDSATIBAMM-UHFFFAOYSA-N	412.450	1.186	10	1	HDCF	
COC(=O)C1=CO[C@H](C)[C@H]([C@@H](O)OC)[C@@H]1CC(=O)OCCc1ccc(O)c(O)c1	2356538248	XMISFCZNOJYIOJ-PBJNJPJQSA-N	410.419	1.246	10	1	HDCF	
CCOC(=O)c1cc2n(n1)[C@H](C(=O)O)Nc1cc(Cl)c(-n3ccc[n+]3C=O)cc1-2	27325153	HSQGWYBEDZFQPY-MRXNPFEDSA-O	416.801	1.505	10	1	HDCF	
C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1	49793373	PMVFYHVSZOZDAN-OMHLYOLPSA-N	402.399	1.481	10	1	HDCF	
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@@](O)(Cc1ccccc1)C(=O)O	2356551769	RHQXHDXIEARXSC-PXNSSMCTSA-N	402.355	1.166	10	1	HDCF	
C[C@@H]1O[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)C[C@@H](O)[C@@H]1O	2356778832	FFKHOMAKDDXSBS-GIUTXIMESA-N	416.382	1.854	10	1	HDCF	
[N-]=[N+]=C1c2nonc2C(Br)=C[C@]12N[C@H](C(=O)O)Cc1cc(F)ccc12	962891470	BKMIJASJIYUUBV-ZUZCIYMTSA-N	406.171	1.471	10	1	HDCF	
O=c1oc2c3c4c1=CC(O)=C(O)[C]4Oc1cc(O)cc(c1-3)OC=2c1ccc(O)c(O)c1	2356855662	NDTQYFVVUNRHQE-UHFFFAOYSA-N	419.321	1.367	10	1	HDCF	
CS(=O)(=O)Nc1ccc(C(=O)c2nc(C(=O)O)cc3cc(O)c(O)cc23)cc1	13490153	UYMFDBIFNKHFLU-UHFFFAOYSA-N	402.384	1.947	10	1	HDCF	
C[C@H](CO)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)[C@H](OC=O)CC[C@]21C	238762180	SAULGKQKWAUSHN-PEMAVBHPSA-N	406.431	1.900	10	1	HDCF	
NC[C@H](CCCCNC(=O)c1cccc(O)c1O)N[C@@H](O)c1cccc(O)c1O	22458008	HQEULXXQFICACJ-YUNKPMOVSA-N	405.451	1.017	10	1	HDCF	biogenic
COC(=O)CN(CCN(CC(=O)OC)Cc1ccccc1O)Cc1ccccc1O	22861963	ACHBABDQYBLQLC-UHFFFAOYSA-N	416.474	1.748	10	1	HDCF	
CN(C)c1ccc([C@H]2NC(=S)N=C3[C@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1	95581295	HFJVZAZVNZURFR-NWDGAFQWSA-N	402.461	1.717	10	1	HDCF	
COc1ccc(N2CCN(C(=O)CCCN3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)CC2)cc1	4192375	JTFANDOZPHVXMB-YVCBRDFCSA-N	423.513	1.931	10	1	HDCF	
C[C@H](/N=N/c1nc(N)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccc(F)cc1	169726984	XLJIBBSJEHKEFK-IFWULFQDSA-N	417.401	1.004	10	1	HDCF	
CC(=O)OCC[C@H]1c2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)O[C@H]1O	5161412	DYJNRRXQVSJBAA-GWNMQOMSSA-N	400.339	1.326	10	1	HDCF	biogenic,in-vitro
CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN4CC4)c(O)ccc3nc2-1	26645676	UUAYNJVZDRJEQO-HSZRJFAPSA-N	419.437	1.601	10	1	HDCF	
CCOC(=O)CCNC(=O)N1CCC[C@@H](N2CCN(c3ccc(OC)cc3)CC2)C1	61688090	LTKYKJZUVWOMQH-LJQANCHMSA-N	418.538	1.944	10	3	HDCF	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(CC(C)=O)C[C@@H]3O	15215759	KLESOPBVLWEGHY-AMXDTQDGSA-N	412.394	1.572	10	1	HDCF	biogenic
COc1ccc(/N=N/c2c(Cl)nc(N)nc2N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)cc1	68198501	ULBQZVBAJNCXFI-SMSQDMBFSA-N	408.846	1.651	10	1	HDCF	
C[C@@H](/N=N/c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccc(F)cc1	82018946	XLJIBBSJEHKEFK-NOWGBWSLSA-N	417.401	1.004	10	1	HDCF	
COC(=O)/C(=C1/OC(=O)c2c1oc(=O)c1cc(O)c(O)cc21)c1ccc(O)c(O)c1	145246395	IOSOZXURFAOWST-JQIJEIRASA-N	412.306	1.827	10	1	HDCF	
O=C(O)[C@@H]1CC[C@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)c(O)c(=O)c3c2O)N1	14679705	LVUZHQLPXAZQHE-BDAKNGLRSA-N	415.354	1.866	10	1	HDCF	biogenic
CN(C)CCn1nc2c3c(c(NCCN4CCNCC4)ccc31)C(=O)c1ccncc1-2	27634431	BTPPIJSTLOPSPI-UHFFFAOYSA-N	419.533	1.521	10	1	HDCF	
COc1cc(CC[C@@H](O)CC(=O)CCc2ccc(O)c(OCN)c2)cc(O)c1O	85625553	UZNKGJJKXAZCCY-MRXNPFEDSA-N	405.447	1.993	10	1	HDCF	biogenic,in-vitro
Cc1cc2c(c3oc([C@@](O)(CO)[C@@H]4CO4)cc(=O)c13)C(=O)c1c(O)cccc1C2=O	5836007	WZNWUDKIQDIRSR-NYHFZMIOSA-N	408.362	1.161	10	1	HDCF	biogenic
O=C(N[C@@H](CO)CCCCNC(=O)c1c(O)cccc1F)c1cccc(O)c1O	2356818192	DRJKUWDQCHORCJ-GFCCVEGCSA-N	406.410	1.634	10	1	HDCF	
Nc1ccc(CC[C@]2(CO)Oc3cc4oc(CO)cc(=O)c4c(O)c3C[C@@H]2O)cc1	2356455218	KWBZIBLPBRWJGM-SIKLNZKXSA-N	413.426	1.233	10	1	HDCF	
C[C@]1(O)O[C@H]2c3c(ccc(O)c(O)c3=O)[C@H]1[C@@]1(C)OCc3c(ccc(O)c3O)[C@H]21	2356499604	GYHQGFLONZNARQ-NIJGLQITSA-N	400.383	1.819	10	1	HDCF	
CN(C)c1ccc([C@H]2SCC(=O)N2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1	73138442	FPULHXSNKIIKJS-OAQYLSRUSA-N	424.482	1.654	10	1	HDCF	
Cn1nnnc1Sc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1O	96932733	PMVPWNBHORQLSF-UHFFFAOYSA-N	408.421	1.776	10	1	HDCF	
CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]1(C=[N+]=[N-])c1cnccn1	963140059	IQGRZWZRLDPFIQ-DIFFPNOSSA-N	402.436	1.724	10	1	HDCF	
COc1ccc2c(c1)cc(/C=C1\SC(=S)N(CCC(=O)O)C1=O)c1nnnn12	653722432	IFRXWWWADAOYPU-JYRVWZFOSA-N	415.456	1.962	10	1	HDCF	
O=c1oc2c3c4c(oc5c(O)c(O)cc1c53)=CC(O)=C[C@@H]4OC=2c1ccc(O)c(O)c1	2356843936	NQWRRUITYZMOPH-ZDUSSCGKSA-N	420.329	1.825	10	1	HDCF	
CN(C)/[N+]([O-])=N/Oc1cc(O/N=[N+](\[O-])N2CCCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-]	40380599	LXRMAIFJKOTMHR-SIBCGJTDSA-N	414.335	1.893	10	1	HDCF	
O=C(c1ccccc1F)N1C[C@H]2COCCN2C2(CN(Cc3ccccc3O)C2)C1	2356755073	FQVUTGKROKKWKJ-SFHVURJKSA-N	411.477	1.943	10	1	HDCF	
O=C(N[C@H](CO)CCCCNC(=O)c1c(O)cccc1F)c1cccc(O)c1O	2356818193	DRJKUWDQCHORCJ-LBPRGKRZSA-N	406.410	1.634	10	1	HDCF	
O=C(NCCCCCCNC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1	3814487	UMVKGIFAQHIGKN-UHFFFAOYSA-N	420.418	1.640	10	1	HDCF	
COc1ccc(O)c(CNc2nc(Cl)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)c1	40424102	DVJBTFRGRNLCBG-WUFOEMFESA-N	417.853	1.719	10	1	HDCF	
CN(C)S(=O)(=O)c1ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2c1	586949092	YYMNVWNEJDFKEW-UHFFFAOYSA-N	410.477	1.557	10	1	HDCF	
C[C@@]1(c2ccc(N3CCN(CCO)CC3)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21	962894240	HXNRKKKWVIVWBH-GMAHTHKFSA-N	413.493	1.802	10	1	HDCF	
O=C1c2c(O)ccc(O)c2-c2nn(CCO)c3ccc(NCCN4CCOCC4)c1c23	28759213	HFZQSAUUPFZSOO-UHFFFAOYSA-N	424.457	1.395	10	1	HDCF	
COc1ccc(N2CCN(S(=O)(=O)c3c(C)nc4sccn4c3=O)CC2)cc1	9116892	ZUEDRHSTMBBQRO-UHFFFAOYSA-N	420.516	1.584	10	3	HDCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c(=O)n(CCCCCBr)c1=O	40786378	SFDWIXVJVPNTJQ-AVGNSLFASA-N	416.276	1.842	10	1	HDCF	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(CC(C)=O)C[C@H]3O	15215753	KLESOPBVLWEGHY-IPQOISQHSA-N	412.394	1.572	10	1	HDCF	biogenic
CCO[P@](=O)(OC[C@@H]1O[C@H](n2cc(C)c(O)nc2=O)C[C@@H]1N=[N+]=[N-])C(=O)NC	253754686	ONQVUORBBDTJJO-UKSFCSPOSA-N	416.331	1.809	10	1	HDCF	
Cc1cc(=O)c2c(O)c(CN3CCOCC3)c(O)c([C@H]3CCN(C)C[C@H]3O)c2o1	1772583923	VITRUMFQFDPVPW-XJKSGUPXSA-N	404.463	1.125	10	1	HDCF	
C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)C=[N+]=[N-]	13544592	TXJDZDFQZSKGHC-KSSFIOAISA-N	410.430	1.604	10	1	HDCF	
COC(=O)CN(CCN(CC(=O)O)Cc1ccccc1O)Cc1ccccc1O	19364411	UFXCQJUPSORPEQ-UHFFFAOYSA-N	402.447	1.660	10	1	HDCF	
COc1ccc(N2CCN(Cc3c(C(C)=O)[n+]([O-])c4ccccc4[n+]3[O-])CC2)cc1	195497823	HNIZCIMXGKUFOT-UHFFFAOYSA-N	408.458	1.640	10	1	HDCF	
COC(=O)[C@H]1C[C@@]23C(=NN=C(SC)[C@@H]2N(C)c2ccc(OC)cc23)N1C(C)=O	36381845	JIFZUAQRHKJPKF-VCBZYWHSSA-N	402.476	1.634	10	1	HDCF	
O=C(NCCCCNCCCNC(=O)c1cccc(O)c1O)c1cccc(O)c1O	6091712	MNVMFIYGHOFQEM-UHFFFAOYSA-N	417.462	1.429	10	1	HDCF	
O=C(NCCCC[C@H](CO)NC(=O)c1c(O)cccc1F)c1cccc(O)c1O	2356828550	IHZREENXPVYAPH-GFCCVEGCSA-N	406.410	1.634	10	1	HDCF	
COC(=O)CN(Cc1ccccc1O)C[C@@H]1CN(Cc2ccccc2O)CC(=O)O1	28237431	ZCDDEZQHDWRXET-GOSISDBHSA-N	414.458	1.500	10	1	HDCF	
O=C(NCCCC[C@@H](CO)N[C@H](O)c1cccc(O)c1O)c1cccc(O)c1O	4097135	PMQYPRBUOFBEAY-FKIZINRSSA-N	406.435	1.051	10	1	HDCF	biogenic
Nc1nc(/N=N/CCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	169729391	FKLACQUREMIBCI-DLSYGRCTSA-N	405.459	1.074	10	1	HDCF	
COc1cc(CCC(=O)C[C@@H](O)C[C@H](CO)c2ccc(O)c(O)c2)c(CO)cc1O	2356773590	DACGNZQXVONUJF-QAPCUYQASA-N	420.458	1.723	10	1	HDCF	
O=c1cc(-c2ccccc2)oc2c(CN3CCN(CCO)CC3)c(O)c(O)c(O)c12	72125747	KYFNKYFJYIRZBW-UHFFFAOYSA-N	412.442	1.687	10	1	HDCF	
CC[C@H](O)C[C@@H](O)c1c(CC(=O)OC)cc2c(c1O)C(=O)c1c(O)cccc1C2=O	12504442	SIHNJMGWRHPFAZ-XHDPSFHLSA-N	414.410	1.783	10	1	HDCF	in-vivo
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](COC(=O)OCCCCCCO)O2)c(=O)[nH]c1=O	38145222	XHODDRASZPZHRF-RDBSUJKOSA-N	411.415	1.517	10	1	HDCF	
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(OS(=O)(=O)O)c(=O)c2c1O	13520611	ORORUIBIFGBBGD-UHFFFAOYSA-N	412.328	1.473	10	1	HDCF	biogenic
COC(=O)[C@H]1C(C(=O)O)=Cc2cc(O)c(O)cc2[C@@H]1c1ccc(C(=O)O)oc1=O	85951048	YUHRLPCHAKSVMN-GJZGRUSLSA-N	402.311	1.152	10	1	HDCF	
COC(=O)[C@H](CCCCNC(=O)c1cccc(O)c1O)NC(=O)c1ccccc1	45506513	DDMXJNUMEOKUJJ-INIZCTEOSA-N	400.431	1.970	10	1	HDCF	
COc1c(OS(=O)(=O)O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O	14647063	ZZGGTOGGQXZBDV-UHFFFAOYSA-N	412.328	1.473	10	1	HDCF	biogenic
O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@@H]1c1ccccc1O	64516258	RKQDVKZUKLNQGN-GOSISDBHSA-N	413.415	1.956	10	1	HDCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(O)Nc3ccccn3)O2)c(=O)[nH]c1=O	72119921	CLQHSXXZOOIQIC-DMDPSCGWSA-N	423.326	1.436	10	1	HDCF	
CC[C@@]1(O)C[C@@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC	85543710	RACGRCLGVYXIAO-LEXZLQQCSA-N	412.394	1.708	10	1	HDCF	
COC(=O)[C@H](CC(=O)O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1	140117705	KBRCLNZPIXOEQJ-ZIFCJYIRSA-N	420.370	1.587	10	1	HDCF	
COc1ccc(-n2nnnc2CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1	9570414	QHENGIJFCNBZCO-CYBMUJFWSA-N	410.409	1.479	10	3	HDCF	
NC[C@@H](CCCCNC(=O)c1cccc(O)c1O)N[C@H](O)c1cccc(O)c1O	22458025	HQEULXXQFICACJ-MPBGBICISA-N	405.451	1.017	10	1	HDCF	biogenic
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO[P@](=O)(O)N3CCCCC3)O2)c(=O)[nH]c1=O	40843908	HDMCYJSXCHWYGI-AVGNSLFASA-N	414.359	1.414	10	1	HDCF	
O=C1c2cc(O)cc(O)c2C(=O)c2c1cc1cc(O)cc(OS(=O)(=O)O)c1c2O	3916979	KKGVHKUKFAVMNN-UHFFFAOYSA-N	418.335	1.619	10	1	HDCF	biogenic
COCCOC(=O)N1CCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	29127267	OQVORWTWSCPOKM-HKWRFOASSA-N	414.331	1.075	10	1	HDCF	
C[C@@H]1C(=O)Nc2ccc(S(=O)(=O)NCc3ccc(N(C)C)cc3)cc2NC1=O	6781324	HFLMLGPJLXRILO-GFCCVEGCSA-N	402.476	1.758	10	1	HDCF	
COc1ccc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)CC2)cc1	4686840	OAKBAFUSVKYVIF-LPTDTENNSA-N	409.486	1.541	10	1	HDCF	
CCOP(=O)(Cn1c(=O)c(C)cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c1=O)OCC	29326961	RZVLDHJTQABVOG-XQQFMLRXSA-N	417.359	1.501	10	1	HDCF	
COc1ccc(S(=O)(=O)N2CCN(CC(=O)c3ccc(O)c(O)c3)CC2)cc1	34858244	NEWGYHZWONDJLW-UHFFFAOYSA-N	406.460	1.296	10	3	HDCF	
C[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)[C@@H]1C[C@@H]1[C@@H](O)[C@H]1CC=CC(=O)O1	2356639425	PMVFYHVSZOZDAN-SXKCSGTESA-N	402.399	1.481	10	1	HDCF	
COC(=O)C1=CO[C@H](C)[C@H]([C@H](O)OC)[C@H]1CC(=O)OCCc1ccc(O)c(O)c1	2356538247	XMISFCZNOJYIOJ-MIEZHBSESA-N	410.419	1.246	10	1	HDCF	
CC(C)O[C@H]1N([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)C(=O)NC(=O)[C@]1(C)Br	5963092	UMBMZMNWHOIUIQ-QZQKCJMNSA-N	406.237	1.229	10	1	HDCF	
O=C1NC(=O)C(=Cc2ccc(OC3CCN(C(=O)c4ccccn4)CC3)cc2)C(=O)N1	95577442	JARITMUKPVHMOK-UHFFFAOYSA-N	420.425	1.515	10	1	HDCF	
O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(NCc4ccccc4O)nc23)N1	205026262	PEVPUNZMUJKSJJ-QPEQYQDCSA-N	406.406	1.197	10	1	HDCF	
Cc1nc(/N=N/c2ccc(P(=O)(O)O)cc2)c(CP(=O)(O)O)c(C=O)c1O	13861574	GDDSBXNCKXRFIS-WUKNDPDISA-N	415.235	1.804	10	1	HDCF	
NCCCC[C@H](N)C(=O)NCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	64447236	INXQLEKHRFKMNA-IBGZPJMESA-N	418.497	1.785	10	1	HDCF	
CN(C)S(=O)(=O)c1cccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c12	586949064	YMVRVECPMHYTCP-UHFFFAOYSA-N	410.477	1.557	10	1	HDCF	
CCCCO[C@@H]1[C@H](OC(=O)C=Cc2ccc(O)c(O)c2)C[C@@]1(O)[C@@H](O)CC(=O)O	2356379148	JLQVVYXIVAEDIW-WOUAJJJCSA-N	410.419	1.179	10	1	HDCF	
C[C@@H]1O[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)C[C@H](O)[C@@H]1O	2356778831	FFKHOMAKDDXSBS-GBZAUUMCSA-N	416.382	1.854	10	1	HDCF	
C[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)[C@@H]1C[C@@H]1[C@H](O)[C@@H]1CC=CC(=O)O1	2356639423	PMVFYHVSZOZDAN-QYGUSTKZSA-N	402.399	1.481	10	1	HDCF	
C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CC[C@H]([C@H](O)[C@H]2CC=CC(=O)O2)O1	1772491034	QMGPOYYFOFDFEO-JPYSVIHJSA-N	404.415	1.823	10	1	HDCF	
CN(C)CCn1nc2c3c(c(NCCN4CCOCC4)ccc31)C(=O)c1ccncc1-2	27629904	SVTOKHIAJGDDQG-UHFFFAOYSA-N	420.517	1.948	10	1	HDCF	
O=C(O)C1=NN(c2ccccc2)C(=O)C1=C[C@H]1C(=O)N(c2ccccc2)N=C1C(=O)O	2356859429	SUNPFJQXTKZFCI-CQSZACIVSA-N	418.365	1.504	10	1	HDCF	
CN(CCO)c1ccc(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3[nH]2)cc1	587193233	VOXVTUXFIPNMIC-UHFFFAOYSA-N	416.503	1.679	10	1	HDCF	
CCOC(=O)[C@H]1CC(=O)c2c1c1c(O)c(O)c(O)cc1c(=O)n2CCCC(=O)OC	1911580828	JRPLJMZJJCVEIM-JTQLQIEISA-N	419.386	1.305	10	1	HDCF	
CC(C)CN1C(=S)N(Cc2ccc(N(C)C)cc2)[C@@H]2[C@H]3OC(=O)[C@@H](C[C@H]3O)[C@H]21	2356839440	LUMGNVZMHWWERC-JKEDJMADSA-N	403.548	1.855	10	1	HDCF	
CCO[P@@](=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])C(N)=O	13977336	YSOFWAOVZULPNZ-BGXNOJSISA-N	402.304	1.136	10	1	HDCF	
Oc1ccc(C/N=N/c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c(O)c1	169690113	AMCMFWIDXWPRTG-BSYVCWPDSA-N	400.439	1.845	10	1	HDCF	
C[C@H]1O[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)C[C@@H](O)[C@@H]1O	238784453	FFKHOMAKDDXSBS-BYPIKVTMSA-N	416.382	1.854	10	1	HDCF	
Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(O)N3CCCCC3)O2)c(=O)[nH]c1=O	29476732	HDMCYJSXCHWYGI-XQQFMLRXSA-N	414.359	1.414	10	1	HDCF	
CCO[P@](=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])C(=O)NC	13977334	ONQVUORBBDTJJO-MRIVGUAKSA-N	416.331	1.397	10	1	HDCF	
COc1cc(CCC(=O)C[C@H](O)C[C@H](CO)c2ccc(O)c(O)c2)c(CO)cc1O	85626242	DACGNZQXVONUJF-CRAIPNDOSA-N	420.458	1.723	10	1	HDCF	biogenic,in-vitro
COCCOCCOc1c(C(=O)Oc2cc(C(=O)O)cc(O)c2O)ccc(O)c1O	40976779	PSRUCXZEHGITAO-UHFFFAOYSA-N	424.358	1.468	10	1	HDCF	
COc1cccc(C(=O)N2C[C@H]3COCCN3C3(CN(Cc4ccccc4O)C3)C2)c1	2356472086	KTQDYPZAAXIHIP-FQEVSTJZSA-N	423.513	1.812	10	1	HDCF	
CCN(CC)C(=O)N1CCN(/[N+]([O-])=N\Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	40567198	SWUNUSTXRUQBKZ-CJLVFECKSA-N	411.375	1.754	10	1	HDCF	
CN1C[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C12C(=O)c1ccccc1C2=O	1772622735	UKBXFMXMWOETML-JKSUJKDBSA-N	405.366	1.464	10	1	HDCF	
CN1CCN(CCCOC(=O)c2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)CC1	209347144	UXLICZPHVCEMJH-UHFFFAOYSA-N	424.453	1.668	10	1	HDCF	
CCOC(=O)CSC1=NC2=NC(C)=C(C(N)=O)[C@@H](c3ccc(N(C)C)cc3)N2N1	473136937	VJUDGIOGHJRLHP-MRXNPFEDSA-N	416.507	1.395	10	1	HDCF	
COc1ccc(N2CCN(C(=O)CCN3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)CC2)cc1	4686841	OAKBAFUSVKYVIF-GQSCTRQFSA-N	409.486	1.541	10	1	HDCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)(O)Oc3ccncc3)O2)c(=O)[nH]c1=O	52566024	MNTTUZZTROFLQN-YNEHKIRRSA-N	424.310	1.402	10	1	HDCF	
CCN(CC)Cc1cc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)ccc1O	13727925	MKICZHKBOWZRRT-UHFFFAOYSA-N	404.535	1.776	10	1	HDCF	
COC(=O)C1=CO[C@H](C)[C@@H]([C@@H](O)OC)[C@@H]1CC(=O)OCCc1ccc(O)c(O)c1	238739986	XMISFCZNOJYIOJ-SSEMZELESA-N	410.419	1.246	10	1	HDCF	
CN(C)c1ccc([C@@H]2NC(=S)N=C3[C@@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1	95581294	HFJVZAZVNZURFR-NEPJUHHUSA-N	402.461	1.717	10	1	HDCF	
O=C(C=Cc1ccc(O)cc1)OC[C@H](O)COC(=O)C=Cc1ccc(O)c(O)c1	2356743446	DISOMVQPNGKRHO-KRWDZBQOSA-N	400.383	1.977	10	1	HDCF	
CCCOCCn1c(=O)c(NCC(=O)O)nc2ncc(-c3ccc(OC)nc3)cc21	45245787	PKOSOVKQDGRJBT-UHFFFAOYSA-N	413.434	1.785	10	1	HDCF	
CC(C)(C)c1cc(C(C)(C)C)c(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c(O)c1O	299815377	FONYWEYOJOAYCY-YDODLJOBSA-N	416.536	1.585	10	1	HDCF	
CCOC(=O)CSC1=NC2=NC(C)=C(C(N)=O)[C@H](c3ccc(N(C)C)cc3)N2N1	473136936	VJUDGIOGHJRLHP-INIZCTEOSA-N	416.507	1.395	10	1	HDCF	
COc1cccc([C@H]2N[C@](CCSC)(C(=O)O)[C@H]3C(=O)N(C(C)C)C(=O)[C@H]23)c1O	13139917	XIJJZKASKOJNGG-DSEONOSFSA-N	422.503	1.631	10	1	HDCF	
CCO[P@](=O)(OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])C(=O)NC	27189595	ONQVUORBBDTJJO-ZYYGJCLASA-N	416.331	1.397	10	1	HDCF	
CC1=NC(=S)N[C@H](c2cccc(O)c2)[C@H]1C(=O)NCCOCCOCCN=[N+]=[N-]	169720082	PBWZQQZONNIHHZ-JKSUJKDBSA-N	420.495	1.858	10	1	HDCF	
CC=C1CN2[C@H]3C[C@]45c6cc(OC)ccc6N(C)[C@@]4(O3)[C@H]2C[C@H]1[C@]5(CO)C(=O)OC	2356766957	JQJQNLIWQQKVAT-QHNGCKEESA-N	412.486	1.641	10	1	HDCF	
CCOC(=O)N1CCN(/[N+]([O-])=N/Oc2cc(OC)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1	73168299	JIKZENZFSYRPBA-HKWRFOASSA-N	414.331	1.457	10	1	HDCF	
CC(C)CNCc1ccc(S(=O)(=O)c2csc(S(N)(=O)=O)c2)cc1O	27216623	LUBVOJWTFYDBIZ-UHFFFAOYSA-N	404.535	1.680	10	1	HDCF	
COC(=O)[C@H](CC(=O)O)O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1	2356632333	KBRCLNZPIXOEQJ-LNLFQRSKSA-N	420.370	1.587	10	1	HDCF	
CC=C1CN2[C@H]3C[C@]45c6cc(OC)ccc6N(C)[C@@]4(O3)[C@H]2C[C@H]1[C@@]5(CO)C(=O)OC	2356766958	JQJQNLIWQQKVAT-UCUQPJEISA-N	412.486	1.641	10	1	HDCF	
CCO[P@](=O)(OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])C(N)=O	27109984	YSOFWAOVZULPNZ-OUCNVAGHSA-N	402.304	1.136	10	1	HDCF	
Cc1ccc(C=CC(=O)O[C@@H](Cc2ccc(O)c(O)c2)C(=O)O)c(CC(=O)O)c1O	2356584834	UMPZKDHDIZUVTO-KRWDZBQOSA-N	416.382	1.991	10	1	HDCF	
CN1C[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C12C(=O)c1ccccc1C2=O	1772622734	UKBXFMXMWOETML-HZPDHXFCSA-N	405.366	1.464	10	1	HDCF	
O=C1NC(=O)C(=Cc2ccc(OC3CCN(C(=O)c4ccncc4)CC3)cc2)C(=O)N1	95574613	OWTGCLPDSJJEJA-UHFFFAOYSA-N	420.425	1.515	10	1	HDCF	
C[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@@H](O)[C@@H](O)[C@H]1O	59736955	KIJPCEZNJSGANY-SYDWNVNPSA-N	416.382	1.078	10	1	HDCF	
O=c1oc2c3c4c(oc5c(O)c(O)cc1c53)=CC(O)=C[C@H]4OC=2c1ccc(O)c(O)c1	2356843935	NQWRRUITYZMOPH-CYBMUJFWSA-N	420.329	1.825	10	1	HDCF	
CO[C@H]1O[C@]2(OCc3c(C)c(O)c(O)c(O)c3C2=O)c2c(O)c(O)c(O)c(C)c21	2356325634	QMVOBCWDKWKDII-RBUKOAKNSA-N	406.343	1.778	10	1	HDCF	
CC[C@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)[C@@H]2C(O)=CC=C[C@@H]2C3=O)[C@H]1C(=O)OC	2356741713	MDUVOMDREZPQPI-UHHQEGLLSA-N	414.410	1.850	10	1	HDCF	
CCOC(=O)c1cc2n(n1)[C@@H](C(=O)O)Nc1cc(Cl)c(-n3ccc[n+]3C=O)cc1-2	27325159	HSQGWYBEDZFQPY-INIZCTEOSA-O	416.801	1.505	10	1	HDCF	
CNCc1cc(CCC(=O)CC(=O)CCC[C@@H](C)NC(=N)NC)cc(OC)c1O	2356735251	IXFIKBGMQZHLSX-CQSZACIVSA-N	406.527	1.884	10	1	HDCF	
CCO[P@](=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])C(N)=O	3842408	YSOFWAOVZULPNZ-HVYUGSGOSA-N	402.304	1.136	10	1	HDCF	
O=C1c2ccccc2C(=O)c2c(O)cc(OCCCN3CCN(CCO)CC3)cc21	72179815	TYOOOGPAUVYGJW-UHFFFAOYSA-N	410.470	1.546	10	1	HDCF	
CCCCO[C@@H]1[C@H](OC(=O)C=Cc2ccc(O)c(O)c2)C[C@]1(O)[C@@H](O)CC(=O)O	2356379146	JLQVVYXIVAEDIW-GJJHYRHESA-N	410.419	1.179	10	1	HDCF	
CN(C)/[N+]([O-])=N/Oc1cc(O/N=[N+](\[O-])N2CCCC2)c([N+](=O)[O-])cc1[N+](=O)[O-]	40848418	TUWLBJKEBDSAPP-AXPXABNXSA-N	400.308	1.503	10	1	HDCF	
CN(C)c1ccc([C@@H]2NC(=S)N=C3[C@H]2C(=O)N=C2SC([N+](=O)[O-])=CN23)cc1	95581296	HFJVZAZVNZURFR-RYUDHWBXSA-N	402.461	1.717	10	1	HDCF	
C[C@@H]1O[C@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@H](O)[C@@H]1O	2356578895	KIJPCEZNJSGANY-FIVGNGDXSA-N	416.382	1.078	10	1	HDCF	
CC(=O)Oc1ccc([C@]2(C)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c(O)c1	963217548	HBPAANAFZVJUQD-CKJXQJPGSA-N	410.430	1.062	10	1	HDCF	
C[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)[C@@H]1CC[C@H]([C@H](O)[C@H]2CC=CC(=O)O2)O1	2356650765	QMGPOYYFOFDFEO-OVPPVYFCSA-N	404.415	1.823	10	1	HDCF	
CCC1(CC)OC(=O)[C@]2(C[C@@H](O)[C@H](O)[C@H](OC(=O)/C=C/c3ccc(O)c(O)c3)C2)O1	45373742	PRYACTXJELYOCI-FQDKNENWSA-N	422.430	1.367	10	1	HDCF	
CCO[P@](=O)(OC[C@@H]1O[C@H](n2cc(C)c(O)nc2=O)C[C@H]1N=[N+]=[N-])C(N)=O	299809822	YSOFWAOVZULPNZ-XTHOMSFPSA-N	402.304	1.549	10	1	HDCF	
CCOP(=O)(Cn1c(=O)c(C)cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c1=O)OCC	29326951	RZVLDHJTQABVOG-UPJWGTAASA-N	417.359	1.501	10	1	HDCF	
O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)c(CN3CCN(CCO)CC3)c(O)c21	1772609463	NWNHBBTZNGTCDF-IBGZPJMESA-N	414.458	1.620	10	1	HDCF	
COC(=O)[C@H]1c2cc3c(c(O)c2[C@@H](O)C[C@@]1(C)O)C(=O)c1c(O)ccc(O)c1C3=O	14684525	ZBSRQGXAWDQXFX-AMTBQWDPSA-N	414.366	1.024	10	1	HDCF	
CNCCC(=O)Nc1ccc(NC(=O)CCNC)c2c1C(=O)c1ccccc1C2=O	5996306	GVTPAAIOXZZVDU-UHFFFAOYSA-N	408.458	1.558	10	1	HDCF	
CN1CCN(C(=O)c2cccc(Cn3nnc4c3C(=O)c3ccccc3C4=O)c2)CC1	473152919	XHMWOYOVGULXFN-UHFFFAOYSA-N	415.453	1.489	10	1	HDCF	
CCCN(S(=O)(=O)c1ccc(O)c(O)c1)S(=O)(=O)c1ccc(O)c(O)c1	45357347	KFROXYXJRFFIAB-UHFFFAOYSA-N	403.434	1.299	10	1	HDCF	
CCCOCCn1c(=O)c(N2CCNCC2)nc2cnc(-c3ccc(OC)nc3)cc21	45336430	QZRFBQWPAKTWDH-UHFFFAOYSA-N	424.505	1.698	10	1	HDCF	
Cc1cc(=O)c2c(O)c(CN3CCC[C@@H]3CO)c(O)c([C@H]3CCN(C)C[C@H]3O)c2o1	1772642022	NUAAENSUBKLSGE-JKIFEVAISA-N	418.490	1.249	10	1	HDCF	
COc1cc(O)c([C@]2(C)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc1OC	963215870	NRWYCMXCJNAXQN-DGCWBMGLSA-N	412.446	1.154	10	1	HDCF	
O=C(C=Cc1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccccc1)C(=O)O	2356551771	RHQXHDXIEARXSC-YLJYHZDGSA-N	402.355	1.166	10	1	HDCF	
CC1=NC(=S)N[C@@H](c2cccc(O)c2)[C@H]1C(=O)NCCOCCOCCN=[N+]=[N-]	169720081	PBWZQQZONNIHHZ-HOTGVXAUSA-N	420.495	1.858	10	1	HDCF	
CC=C1CN2[C@H]3C[C@@]45c6cc(OC)ccc6N(C)[C@@]4(O3)[C@H]2C[C@H]1[C@]5(CO)C(=O)OC	2356766955	JQJQNLIWQQKVAT-DQEVOMCYSA-N	412.486	1.641	10	1	HDCF	
CN(C)CCNc1ccc(O)c2c1C(=O)c1c(O)ccc(NCCN(C)C)c1C2=O	64625047	WPCPGQDHWVUSRS-UHFFFAOYSA-N	412.490	1.820	10	1	HDCF	in-vitro
C[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)[C@@H]1C[C@@H]1[C@@H](O)[C@@H]1CC=CC(=O)O1	2356639424	PMVFYHVSZOZDAN-SVZVCKTISA-N	402.399	1.481	10	1	HDCF	
CC(C)CN1C(=S)N(Cc2ccc(N(C)C)cc2)[C@@H]2[C@H]3OC(=O)[C@@H](C[C@@H]3O)[C@H]21	2356839441	LUMGNVZMHWWERC-OYSTVDSJSA-N	403.548	1.855	10	1	HDCF	
Cc1nc2c(C(=O)NCCN3CCOCC3)cnn2c(O)c1Cc1ccc(F)cc1	20136931	WIOZIEGCLIWOGY-UHFFFAOYSA-N	413.453	1.535	10	1	HDCF	
CC(C)O[C@H]1N([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)C(=O)NC(=O)[C@]1(C)Br	5732877	UMBMZMNWHOIUIQ-WJDYBODASA-N	406.237	1.229	10	1	HDCF	
C[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)[C@@H]1CC[C@H]([C@@H](O)[C@H]2CC=CC(=O)O2)O1	2356650762	QMGPOYYFOFDFEO-GKQAMSOKSA-N	404.415	1.823	10	1	HDCF	
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)OCCCCCCO)O2)c(=O)[nH]c1=O	26825093	XHODDRASZPZHRF-MGPQQGTHSA-N	411.415	1.517	10	1	HDCF	
CC(C)(C)c1cc(C(C)(C)C)c(S[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(O)c1O	5950591	FONYWEYOJOAYCY-RURNSZLFSA-N	416.536	1.585	10	1	HDCF	
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1cc(O)c(O)c(CCO)c1)C(=O)O	85510838	MVKOGHNTHPFVEI-NKEDHYFDSA-N	404.371	1.296	10	1	HDCF	biogenic,in-vitro
NCc1cn(C[C@@H](O)Cn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)nn1	653859709	XUXRJYZXSLYQPA-CQSZACIVSA-N	401.426	1.324	10	1	HDCF	
CN(C)CCNCCNc1ccc2c3c(nn2CCN(C)C)-c2cnccc2C(=O)c13	27634282	SYXLLMWXLUPEEK-UHFFFAOYSA-N	421.549	1.767	10	1	HDCF	
[N-]=[N+]=C(c1ccc(C(=O)OCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(F)(F)F	28461967	AYPJJECBXSRFII-UHFFFAOYSA-N	405.296	1.234	10	1	HDCF	
COc1ccc(N2CCN(C(=O)CCCN3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)CC2)cc1	4192374	JTFANDOZPHVXMB-NEAWWFDSSA-N	423.513	1.931	10	1	HDCF	
COC(=O)[C@H]1C[C@]23C(=NN=C(SC)[C@H]2N(C)c2ccc(OC)cc23)N1C(C)=O	169336333	JIFZUAQRHKJPKF-SPYBWZPUSA-N	402.476	1.634	10	1	HDCF	
CCOC(=O)N1CCN(/[N+]([O-])=N/Oc2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1	38215737	UGDNIZMKTPCSOS-HKWRFOASSA-N	402.295	1.588	10	1	HDCF	
C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1	49049269	PMVFYHVSZOZDAN-UPGHFMLASA-N	402.399	1.481	10	1	HDCF	
Nc1ccc(CC[C@@]2(CO)Oc3cc4oc(CO)cc(=O)c4c(O)c3C[C@H]2O)cc1	2356455217	KWBZIBLPBRWJGM-KNQAVFIVSA-N	413.426	1.233	10	1	HDCF	
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1cc(O)c(O)cc1[N+](=O)[O-])C(=O)O	29054943	ZCXHKIXFOKNDLD-WPTTZPOMSA-N	405.315	1.670	10	1	HDCF	
CC(C)(C)c1cc(C(C)(C)C)c(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(O)c1O	299815375	FONYWEYOJOAYCY-NOOLBSRQSA-N	416.536	1.585	10	1	HDCF	
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H](C(=O)O)[C@](O)(Cc1ccccc1)C(=O)O	2356551768	RHQXHDXIEARXSC-FXAWDEMLSA-N	402.355	1.166	10	1	HDCF	
O=C(NCCCCNCCCNC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1	14712754	ZQCQBKSAEOIDQN-UHFFFAOYSA-N	417.462	1.429	10	1	HDCF	biogenic
COc1cc(CCC(=O)C[C@H](O)C[C@@H](CO)c2ccc(O)c(O)c2)c(CO)cc1O	2356773589	DACGNZQXVONUJF-MAUKXSAKSA-N	420.458	1.723	10	1	HDCF	
CN1CCN(NC(=O)CN2C(=O)/C(=C/c3c(F)cccc3F)SC2=S)CC1	198923488	KKPROWUAHDQTCH-ZROIWOOFSA-N	412.487	1.445	10	1	HDCF	
CN1C[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C12C(=O)c1ccccc1C2=O	1772622733	UKBXFMXMWOETML-HOTGVXAUSA-N	405.366	1.464	10	1	HDCF	
CCCCc1cc2c(c(O)c1OC)C(=O)c1[nH]c(C(=O)OC)c(O)c(=O)c1C2=O	199282236	IKMACLPPKYTRBX-UHFFFAOYSA-N	401.371	1.699	10	1	HDCF	
CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(C=[N+]=[N-])c1cnccn1	963140062	IQGRZWZRLDPFIQ-GTNSWQLSSA-N	402.436	1.724	10	1	HDCF	
CCCOCCn1c(=O)c(NCC(N)=O)nc2ncc(-c3ccc(OC)nc3)cc21	45245255	JMNQZJVQPHPGQE-UHFFFAOYSA-N	412.450	1.186	10	1	HDCF	
C[C@H](O)[C@H]1O[C@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@H]1O	238774682	XHQNBUMWFVBMCJ-WIISMLFVSA-N	416.382	1.078	10	1	HDCF	
CCNCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CNCC)ccc1C2=O	40424142	DJJHCFWUEPEODX-UHFFFAOYSA-N	408.458	1.558	10	1	HDCF	in-vivo
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@](O)(Cc1ccccc1)C(=O)O	49781488	RHQXHDXIEARXSC-DTLVDHMJSA-N	402.355	1.166	10	1	HDCF	
Nc1nc(Cl)c(/N=N/c2cccc([N+](=O)[O-])c2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1	73170039	WOMBYNWRJCSUGG-ZDXBVVLGSA-N	423.817	1.550	10	1	HDCF	
C[C@]1(O)O[C@H]2c3c(ccc(O)c(O)c3=O)[C@H]1[C@]1(C)OCc3c(ccc(O)c3O)[C@H]21	2356499602	GYHQGFLONZNARQ-DJSIVUHMSA-N	400.383	1.819	10	1	HDCF	
CC[C@]12O[C@H]1Cc1c(O)c3c(c(O)c1[C@H]2C(=O)OC)C(=O)c1cccc(O)c1C3=O	5924227	SLOAUJRRFDJQDU-DOCRCCHOSA-N	410.378	1.939	10	1	HDCF	
CC(=O)OCC[C@@H]1c2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)O[C@H]1O	5161406	DYJNRRXQVSJBAA-GSDQLPOLSA-N	400.339	1.326	10	1	HDCF	biogenic,in-vitro
CCO[P@](=O)(OC[C@@H]1O[C@H](n2cc(C)c(O)nc2=O)C[C@H]1N=[N+]=[N-])C(=O)NC	253754683	ONQVUORBBDTJJO-FYYCLNQXSA-N	416.331	1.809	10	1	HDCF	
Cc1ccc(C=CC(=O)O[C@H](Cc2ccc(O)c(O)c2)C(=O)O)c(CC(=O)O)c1O	2356584835	UMPZKDHDIZUVTO-QGZVFWFLSA-N	416.382	1.991	10	1	HDCF	
O=C1NC(=O)C(=Cc2ccc(OC3CCN(C(=O)c4cccnc4)CC3)cc2)C(=O)N1	95578069	RIGYPTWHJBIYAV-UHFFFAOYSA-N	420.425	1.515	10	1	HDCF	
COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C/c1cc(OC)c(O)c(OC)c1	98083418	AVCJGJXTEAFFPQ-DYLGSBMWSA-N	417.414	1.734	10	1	HDCF	
NCCn1nc2c3c(c(NCCCNCCO)ccc31)C(=O)c1c(O)ccc(O)c1-2	28757449	MYJRPCVJYYVLMX-UHFFFAOYSA-N	411.462	1.002	10	1	HDCF	
COC(=O)[C@H](CC(=O)O)O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1ccc(O)c(O)c1	2356632332	KBRCLNZPIXOEQJ-AOIWGVFYSA-N	420.370	1.587	10	1	HDCF	
O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(O)c(O)c1	36227595	CEZPASRHUVNIKD-UHFFFAOYSA-N	410.879	1.940	10	3	HDCF	
COc1ccc2c(c1)=C(c1ccc(N3CCOCC3)cc1)NN=C(c1cccnc1)N=2	87711575	WSLFSZRBNXCVJX-UHFFFAOYSA-N	413.481	1.668	10	3	HDCF	
CC(=O)CC[C@H](C(=O)O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O	13907356	HTBJCSXYMPBHJQ-VIFPVBQESA-N	400.339	1.822	10	1	HDCF	biogenic
CCOP(=O)(Cn1c(=O)c(C)cn([C@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c1=O)OCC	38154474	RZVLDHJTQABVOG-RWMBFGLXSA-N	417.359	1.501	10	1	HDCF	
CN1CCN(c2ccc([C@H](CC(N)=O)NC(=O)c3ccccc3)cc2[N+](=O)[O-])CC1	15937499	WCOKMYOMNSTLND-KRWDZBQOSA-N	411.462	1.693	10	3	HDCF	
COC(=O)C1=Cc2cc(O)c(O)cc2[C@@H](c2cc(C(=O)O)oc(=O)c2)[C@@H]1C(=O)O	15203057	LQVVAGKFBISYJF-HZPDHXFCSA-N	402.311	1.152	10	1	HDCF	biogenic
CN(C)CC(=O)Nc1ccc(NC(=O)CN(C)C)c2c1C(=O)c1ccccc1C2=O	5957438	HTYSTXAEZVMTCV-UHFFFAOYSA-N	408.458	1.462	10	1	HDCF	
CN(CCO)c1ccc(-c2nc3cc(C(=O)N4CCN(CCO)CC4)ccc3[nH]2)cc1	587193342	ZFVJSPNBIXGDOW-UHFFFAOYSA-N	423.517	1.409	10	1	HDCF	
COC(=O)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O)C(C)C	2356334731	MJPQABXBKRQYAG-QGZVFWFLSA-N	413.382	1.506	10	1	HDCF	
COC(=O)[C@H]1C[C@@]23C(=NN=C(SC)[C@H]2N(C)c2ccc(OC)cc23)N1C(C)=O	38142320	JIFZUAQRHKJPKF-CLCXKQKWSA-N	402.476	1.634	10	1	HDCF	
N[C@@H](CCCCNC(=O)Cn1ccnc1/N=N/c1ccc([N+](=O)[O-])cc1)C(=O)O	1772635731	QUCFFFFROSRANS-OXBTWTFQSA-N	403.399	1.905	10	1	HDCF	
O=C(O)Cc1c(C=CC(=O)O[C@@H](Cc2ccc(O)c(O)c2)C(=O)O)ccc(O)c1O	2356772836	KFCMFABBVSIHTB-INIZCTEOSA-N	418.354	1.388	10	1	HDCF	
CN(C)CCCNc1nnc(NCCCN(C)C)c2c1C(=O)c1ccccc1C2=O	1544925	JAJHKOTWHXODEJ-UHFFFAOYSA-N	410.522	1.979	10	1	HDCF	
Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(O)N3CCCCC3)O2)c(=O)[nH]c1=O	29476728	HDMCYJSXCHWYGI-JHJVBQTASA-N	414.359	1.414	10	1	HDCF	
O=S1(=O)CCN(c2ccc(OC[C@H](O)CN3CCc4ccccc4C3)cc2)CC1	219728004	JILOZZRILDDCRB-OAQYLSRUSA-N	416.543	1.719	10	1	HDCF	
C[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@@H](O)[C@@H](O)[C@H]1O	59736951	KIJPCEZNJSGANY-BTWCEOQKSA-N	416.382	1.078	10	1	HDCF	
COC(=O)[C@H](CCC(C)=O)c1c(O)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O	14635845	YSFBMLUXDYVJKP-SNVBAGLBSA-N	414.366	1.910	10	1	HDCF	biogenic
N[C@@H](CS[C@H]1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O	28390717	ZHFDCDCPUIRJFV-VCUZQBHISA-N	409.416	1.190	10	1	HDCF	
CN(C)CCNCCNc1ccc2c3c(nn2CCN)-c2c(O)ccc(O)c2C(=O)c13	28756778	JDVJEHACMPMSBX-UHFFFAOYSA-N	424.505	1.181	10	1	HDCF	
CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(N4CCN(C)CC4)cc3)c2n1	95595645	GGPFOIAPLXDEAO-UHFFFAOYSA-N	410.526	1.714	10	1	HDCF	
CC[C@]1(O)C[C@@H](O)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@@H]1C(=O)O	2356653022	YJLZUBNKPBKHLM-LBBIBPJZSA-N	414.366	1.325	10	1	HDCF	
COc1ccc(/C=C2\SC(=S)N(CC(=O)NN3CCN(C)CC3)C2=O)cc1	1857637093	HMQUJOVPCZIXCW-PTNGSMBKSA-N	406.533	1.175	10	1	HDCF	
CN1CCN(c2ccc([C@@H](CC(N)=O)NC(=O)c3ccccc3)cc2[N+](=O)[O-])CC1	15937498	WCOKMYOMNSTLND-QGZVFWFLSA-N	411.462	1.693	10	3	HDCF	
CCOP(=O)(Cn1c(=O)c(C)cn([C@@H]2C[C@H](N=[N+]=[N-])[C@H](CO)O2)c1=O)OCC	38154473	RZVLDHJTQABVOG-AVGNSLFASA-N	417.359	1.501	10	1	HDCF	
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN4CC4)c(O)ccc3nc2-1	26645671	UUAYNJVZDRJEQO-QHCPKHFHSA-N	419.437	1.601	10	1	HDCF	
CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(C=[N+]=[N-])c1cnccn1	963140057	IQGRZWZRLDPFIQ-APPDUMDISA-N	402.436	1.724	10	1	HDCF	
CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1ccc(O)c(O)c1C2=O	5115301	FJSGMFGNISZAGK-UHFFFAOYSA-N	412.490	1.820	10	1	HDCF	
C[C@H]1C(=O)Nc2ccc(S(=O)(=O)NCc3ccc(N(C)C)cc3)cc2NC1=O	6781326	HFLMLGPJLXRILO-LBPRGKRZSA-N	402.476	1.758	10	1	HDCF	
O=C(O)CN(CCN(CC(=O)O)Cc1cccc(O)c1O)Cc1ccccc1O	64746579	PIRBWSIWJQHRSO-UHFFFAOYSA-N	404.419	1.277	10	1	HDCF	in-vitro
CCN(CC)/[N+]([O-])=N/Oc1cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc1[N+](=O)[O-]	13831439	KVCJLEOMJPATHO-AXPXABNXSA-N	402.324	1.749	10	1	HDCF	
COc1ccc(N2CCN(C(=O)Nc3ccc(OS(N)(=O)=O)cc3)CC2)cc1	474609989	YODKCZPCWVRTCE-UHFFFAOYSA-N	406.464	1.632	10	1	HDCF	
COc1c(O)cc2c(c1O)CN1C(=O)[C@@H](CC3=Nc4ccccc4C3)NC(=O)[C@H]1C2	238758430	YHBVIUZTBDHEHX-IAGOWNOFSA-N	407.426	1.577	10	1	HDCF	
CCOP(=O)(Cn1c(=O)c(C)cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)c1=O)OCC	38154475	RZVLDHJTQABVOG-AGIUHOORSA-N	417.359	1.501	10	1	HDCF	
CC(C)(C)c1cc(C(C)(C)C)c(S[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(O)c1O	31905034	FONYWEYOJOAYCY-FUCCGZMXSA-N	416.536	1.585	10	1	HDCF	
CCO[P@](=O)(OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-])C(N)=O	40700992	YSOFWAOVZULPNZ-JYVJGCNBSA-N	402.304	1.136	10	1	HDCF	
CN(C)c1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NCCN3CCCCC3)O[C@H](CO)[C@@H]1O2	95901813	HWEAQBDEOFZYHR-VARILPKDSA-N	417.550	1.739	10	1	HDCF	
COc1c(O)c2c3c(c(O)c(O)c(C)c3c1O)C(=O)[C@@](O)(C(C)(C)C(C)=O)C2=O	14693261	NKDAVCHIYATDKS-FQEVSTJZSA-N	404.371	1.705	10	1	HDCF	biogenic
Cc1cc(=O)c2c(O)c(CN3CCN(C)CC3)c(O)c([C@H]3CCN(C)C[C@H]3O)c2o1	1772619690	VYCLQDQAQJZMLD-WMLDXEAASA-N	417.506	1.040	10	1	HDCF	
CO[C@@H]1O[C@]2(OCc3c(C)c(O)c(O)c(O)c32)C(=O)c2c(O)c(O)c(O)c(C)c21	2356702510	HLJRCSGHNKUEEE-MOPGFXCFSA-N	406.343	1.778	10	1	HDCF	
CCO[P@](=O)(OC[C@@H]1O[C@H](n2cc(C)c(O)nc2=O)C[C@@H]1N=[N+]=[N-])C(N)=O	299809821	YSOFWAOVZULPNZ-IZASTHIKSA-N	402.304	1.549	10	1	HDCF	
C[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)[C@@H]1CC[C@H]([C@@H](O)[C@@H]2CC=CC(=O)O2)O1	2356650764	QMGPOYYFOFDFEO-OBXINVMNSA-N	404.415	1.823	10	1	HDCF	
COC(=O)[C@@H]1c2c(O)c3c(c(O)c2[C@@H](O)C[C@@]1(C)O)C(=O)[C@@H]1C(O)=CC=C[C@H]1C3=O	238731881	YVWJMIHCLKAVGS-WYKPEOHWSA-N	416.382	1.166	10	1	HDCF	
O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCN1CCOCC1)c1ccccn21	473124167	WLAKLXCQDUPBRG-UHFFFAOYSA-N	405.410	1.599	10	1	HDCF	
COc1cccc(C(=O)NCCCC[C@H](CO)NC(=O)c2cccc(O)c2O)c1O	2356715053	OWDSZEMEKNNHAH-CYBMUJFWSA-N	418.446	1.503	10	1	HDCF	
CC[C@H](C)[C@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O)C(=O)O	1857752779	UVFFSOBWYUVHFJ-QPFGOUBPSA-N	413.382	1.808	10	1	HDCF	
O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCCN1CCOCC1)c1ccccn21	473112303	CMEJZBGTPMODEK-UHFFFAOYSA-N	419.437	1.989	10	1	HDCF	
C[C@]1(c2ccc(N3CCN(CCO)CC3)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21	962894242	HXNRKKKWVIVWBH-JTHBVZDNSA-N	413.493	1.802	10	1	HDCF	
OC[C@@H]1O[C@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2ccc(O)c(O)c2)[C@H](O)[C@H]1O	95619792	SBBFXSBQYRSIPP-GNBUJSLZSA-O	419.362	1.021	10	1	HDCF	in-man
Cc1c(O)c2c(c(O)c1CO[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1)C(=O)c1ccccc1C2=O	95589730	NNWYOFNSRIQQEF-UPCNBGPOSA-N	413.426	1.521	10	1	HDCF	
CC[C@@H](O)C[C@@H](O)c1c(CC(=O)OC)cc2c(c1O)C(=O)c1c(O)cccc1C2=O	12504441	SIHNJMGWRHPFAZ-IAQYHMDHSA-N	414.410	1.783	10	1	HDCF	in-vitro
O=C(C=Cc1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@@](O)(Cc1ccccc1)C(=O)O	2356551770	RHQXHDXIEARXSC-XLIONFOSSA-N	402.355	1.166	10	1	HDCF	
O=c1c(O[C@@H]2CC[C@@H](CO)O2)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12	2356713604	NCALNGRAOGFYSK-ZUZCIYMTSA-N	418.354	1.864	10	1	HDCF	
C[C@@H](CO)c1c(O)c(O)c2c(c1O)C(=O)C(=O)[C@H]1C(C)(C)[C@@H](OC=O)CC[C@]21C	14725044	SAULGKQKWAUSHN-UBYSUJPBSA-N	406.431	1.900	10	1	HDCF	
Cc1cc(=O)c2c(O)c(CN3CCC[C@H]3CO)c(O)c([C@H]3CCN(C)C[C@H]3O)c2o1	1772642021	NUAAENSUBKLSGE-GRDNDAEWSA-N	418.490	1.249	10	1	HDCF	
CC[C@@]1(O)C[C@@H](O)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@@H]1C(=O)OC	5004100	RACGRCLGVYXIAO-NYFKNOIKSA-N	412.394	1.708	10	1	HDCF	
CSc1c(O)c2c(c(O)c1SC)[C@@H]1CO[C@@H]3[C@@H]4C[C@@H](C(=O)O)[C@H]([C@H](C2)N13)N4C	29568478	GFQKINKFUAFOCB-AIKDKJFLSA-N	424.544	1.953	10	1	HDCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(O)Nc3ccncc3)O2)c(=O)[nH]c1=O	72119891	KJEOTGLCCNUFKT-YNEHKIRRSA-N	423.326	1.436	10	1	HDCF	
CN1CCN(CCNC(=O)c2c3c(n4ccccc24)C(=O)c2ncccc2C3=O)CC1	473118600	KPAHAORQXVPTFT-UHFFFAOYSA-N	417.469	1.087	10	1	HDCF	
O=c1c(O[C@H]2CC[C@@H](CO)O2)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12	2356713602	NCALNGRAOGFYSK-BONVTDFDSA-N	418.354	1.864	10	1	HDCF	
COC(=O)C(=C1OC(=O)c2c1oc(=O)c1cc(O)c(O)cc21)c1ccc(O)c(O)c1	2356530220	IOSOZXURFAOWST-UHFFFAOYSA-N	412.306	1.827	10	1	HDCF	
O=C(/C=C\c1ccc(O)c(O)c1)OCC(O)COC(=O)/C=C\c1ccc(O)c(O)c1	211126740	GCOCYKNNHZZJTR-VHOZIDCHSA-N	416.382	1.683	10	1	HDCF	
CCO[P@@](=O)(OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])C(=O)NC	27189589	ONQVUORBBDTJJO-UATOKQBPSA-N	416.331	1.397	10	1	HDCF	
CC(=S)NNC[C@H]1CN(c2ccc(OCCN3CCOCC3)c(F)c2)C(=O)O1	27415449	VNVQMDWAPBFGLK-HNNXBMFYSA-N	412.487	1.303	10	1	HDCF	
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(CC(C)=O)C[C@H]3O	15215755	KLESOPBVLWEGHY-VERVWZFWSA-N	412.394	1.572	10	1	HDCF	biogenic
CCOP(=O)(Cn1c(=O)c(C)cn([C@H]2C[C@@H](N=[N+]=[N-])[C@H](CO)O2)c1=O)OCC	38154476	RZVLDHJTQABVOG-FRRDWIJNSA-N	417.359	1.501	10	1	HDCF	
C[C@@H](/N=N/c1nc(N)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)c1ccc(F)cc1	169726983	XLJIBBSJEHKEFK-FMWVPDCHSA-N	417.401	1.004	10	1	HDCF	
Cc1ccc(S(=O)(=O)C2=c3ncccc3=C3C(=O)c4ccccc4C(=O)[C@H]32)cc1	6487310	ACEWXYWGLWTBDY-IBGZPJMESA-N	401.443	1.832	10	1	HDCF	
C/C=C1/CN2[C@@H]3C[C@@]45c6cc(OC)ccc6N(C)[C@]4(O3)[C@@H]2C[C@@H]1[C@@]5(CO)C(=O)OC	45336772	JQJQNLIWQQKVAT-IFQABQPBSA-N	412.486	1.641	10	1	HDCF	
O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2C[C@H](O)Cn1cc(CO)nn1	653861117	DHVOUHYDONXWSD-CQSZACIVSA-N	402.410	1.358	10	1	HDCF	
CCO[P@@](=O)(OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-])C(=O)NC	3842407	ONQVUORBBDTJJO-MFDNNXJTSA-N	416.331	1.397	10	1	HDCF	
COC(=O)[C@H](CCCCNC(=O)c1ccccc1)NC(=O)c1cccc(O)c1O	45506510	KEZKOJMRVIOPCC-INIZCTEOSA-N	400.431	1.970	10	1	HDCF	
C[C@@H]1O[C@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)C[C@H](O)[C@@H]1O	2356611012	GEPKTNSMKQBALR-PTSWHOKZSA-N	416.382	1.854	10	1	HDCF	
O=C(NCCCCCNC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1	3814486	KASIYLKQACMGLY-UHFFFAOYSA-N	406.391	1.250	10	1	HDCF	
CCO[P@](=O)(OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@H]1N=[N+]=[N-])C(=O)NC	40709765	ONQVUORBBDTJJO-BDSYINKXSA-N	416.331	1.397	10	1	HDCF	
O=C(c1cccnc1)N1CCN(/[N+]([O-])=N\Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	40566918	RGAYGEVIFGQITL-PTGBLXJZSA-N	417.338	1.527	10	1	HDCF	
O=C(/C=C/c1ccc(O)c(O)c1)NCCC[C@H](NC(=O)Cc1ccccc1)C(=O)O	96929286	GIMJQFUIPWOZLT-KAMXEHQASA-N	412.442	1.820	10	1	HDCF	
O=C(/C=C\c1ccc(O)c(O)c1)OCC(O)COC(=O)/C=C/c1ccc(O)c(O)c1	211126791	GCOCYKNNHZZJTR-KYPMKJFLSA-N	416.382	1.683	10	1	HDCF	
O=C1c2cccnc2C(=O)c2c1c(C(=O)OCCN1CCOCC1)c1c(F)cccn21	1857745274	SKSYWMDIVQGBJX-UHFFFAOYSA-N	423.400	1.738	10	1	HDCF	
O=C(O)C1=NN(c2ccccc2)C(=O)C1=C[C@@H]1C(=O)N(c2ccccc2)N=C1C(=O)O	2356859428	SUNPFJQXTKZFCI-AWEZNQCLSA-N	418.365	1.504	10	1	HDCF	
CC(=O)OCC[C@@H]1c2c(cc3c(c2O)C(=O)c2c(O)cc(O)cc2C3=O)O[C@@H]1O	5161404	DYJNRRXQVSJBAA-YBYGRFCBSA-N	400.339	1.326	10	1	HDCF	biogenic,in-vitro
O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@H]1c1ccccc1O	64516261	RKQDVKZUKLNQGN-SFHVURJKSA-N	413.415	1.956	10	1	HDCF	
CO[C@H]1O[C@]2(OCc3c(C)c(O)c(O)c(O)c32)C(=O)c2c(O)c(O)c(O)c(C)c21	2356702511	HLJRCSGHNKUEEE-OALUTQOASA-N	406.343	1.778	10	1	HDCF	
CC[C@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)[C@@H]2C(O)=CC=C[C@H]2C3=O)[C@H]1C(=O)OC	2356741710	MDUVOMDREZPQPI-DLLXZODCSA-N	414.410	1.850	10	1	HDCF	
CC(C)(COC(=O)c1cc(O)c(O)c(O)c1)COC(=O)c1cc(O)c(O)c(O)c1	167833325	WPIDJNKZBUFFAM-UHFFFAOYSA-N	408.359	1.960	10	1	HDCF	
CN1CCN(C(=O)c2ccc(Cn3nnc4c3C(=O)c3ccccc3C4=O)cc2)CC1	473151862	RUSNTHKBTAFNRF-UHFFFAOYSA-N	415.453	1.489	10	1	HDCF	
Cc1oc2c(c1C(=O)OCCc1cn(CCCO)nn1)C(=O)c1ncccc1C2=O	1857633338	RVJJKSZQKZUOGY-UHFFFAOYSA-N	410.386	1.132	10	1	HDCF	
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@H](O)C[C@]1(O)CC(C)=O)C(=O)c1ccccc1C3=O	2356443653	SSNLJFDIUQVYAC-KFCXZAFISA-N	424.405	1.572	10	1	HDCF	
C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[C@H]1C[C@@H]1[C@H](O)[C@H]1CC=CC(=O)O1	49049265	PMVFYHVSZOZDAN-NLKJIOERSA-N	402.399	1.481	10	1	HDCF	
CCCCO[C@@H]1[C@H](OC(=O)C=Cc2ccc(O)c(O)c2)C[C@@]1(O)[C@H](O)CC(=O)O	2356379149	JLQVVYXIVAEDIW-XNFNUYLZSA-N	410.419	1.179	10	1	HDCF	
Nc1ccc(CC[C@@]2(CO)Oc3cc4oc(CO)cc(=O)c4c(O)c3C[C@@H]2O)cc1	2356455219	KWBZIBLPBRWJGM-UGKGYDQZSA-N	413.426	1.233	10	1	HDCF	
NCCc1c[nH]c2ccc(OCC(=O)N3CCN(c4ccc(CN)cc4)CC3)cc12	13743221	XBGNJVHCNNIMKW-UHFFFAOYSA-N	407.518	1.855	10	1	HDCF	
Nc1nc(Cl)c(/N=N/c2ccc([N+](=O)[O-])cc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1	73170038	VMVNRXWFXYPGPP-ZDXBVVLGSA-N	423.817	1.550	10	1	HDCF	
O=C1c2cccnc2C(=O)c2c1c(C(=O)NCCN1CCOCC1)c1ccccn21	473122337	RPQNJSOYXOMPAY-UHFFFAOYSA-N	404.426	1.172	10	1	HDCF	
Cc1ccc([C@@]2(C(F)(F)F)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c(O)c1	963221804	OPCZGSUPGUQFAY-NJSLBKSFSA-N	420.391	1.988	10	1	HDCF	
COCCOCCOC(=O)c1cc(O)c(O)c(OC(=O)c2ccc(O)c(O)c2O)c1	40973351	WCKKBQIASCQFTJ-UHFFFAOYSA-N	424.358	1.254	10	1	HDCF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(O)Nc3cccnc3)O2)c(=O)[nH]c1=O	72119890	KQTNRHCRFJVSNA-YNEHKIRRSA-N	423.326	1.436	10	1	HDCF	
CC[C@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)c2c(O)ccc(O)c2C3=O)[C@H]1C(=O)O	2356653023	YJLZUBNKPBKHLM-VQDICGIKSA-N	414.366	1.325	10	1	HDCF	
O=C(NCCN1CCCCC1)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	1857592750	HATKLBZKZRAPPE-UHFFFAOYSA-N	410.426	1.795	10	1	HDCF	
CN1C[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C12C(=O)c1ccccc1C2=O	1772622732	UKBXFMXMWOETML-CVEARBPZSA-N	405.366	1.464	10	1	HDCF	
COCCn1nc2c3c(c(NCCNCCO)ccc31)C(=O)c1c(O)ccc(O)c1-2	28759615	HYEJVQZZBDAIAK-UHFFFAOYSA-N	412.446	1.299	10	1	HDCF	
CN(C[C@H](O)CO)c1nc2cc(O)c3c(c2s1)C(=O)c1cccc(O)c1C3=O	299834997	UQBJJQFWLTWCAX-QMMMGPOBSA-N	400.412	1.272	10	1	HDCF	
Nc1ccc(CC[C@]2(CO)Oc3cc4oc(CO)cc(=O)c4c(O)c3C[C@H]2O)cc1	85593579	KWBZIBLPBRWJGM-DENIHFKCSA-N	413.426	1.233	10	1	HDCF	biogenic,in-vitro
CO[C@@H]1O[C@@]2(OCc3c(C)c(O)c(O)c(O)c32)C(=O)c2c(O)c(O)c(O)c(C)c21	2356702513	HLJRCSGHNKUEEE-RTBURBONSA-N	406.343	1.778	10	1	HDCF	
COc1c(-c2ccc(O)c(O)c2)oc2cc(OS(=O)(=O)O)c(O)c(O)c2c1=O	14647297	QOBBVPZWFXTPBO-UHFFFAOYSA-N	412.328	1.473	10	1	HDCF	biogenic
CC(=O)[C@@]1(O)CCc2c(c(O)c3c(c2COCCCN)C(=O)c2ccccc2C3=O)C1	27632582	UYVJCYFRVBHROA-XMMPIXPASA-N	423.465	1.842	10	1	HDCF	
COC(=O)C1=CO[C@H](C)[C@H]([C@H](O)OC)[C@@H]1CC(=O)OCCc1ccc(O)c(O)c1	2356538245	XMISFCZNOJYIOJ-DFSZULASSA-N	410.419	1.246	10	1	HDCF	
O=C1c2ncccc2C(=O)c2c1c(C(=O)OCCN1CCOCC1)c1ccccn21	1857744511	ZKVVHKJQSXAISG-UHFFFAOYSA-N	405.410	1.599	10	1	HDCF	
COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O)C[C@@]1(O)CC(C)=O)C(=O)c1ccccc1C3=O	2356443655	SSNLJFDIUQVYAC-WIRVKHDMSA-N	424.405	1.572	10	1	HDCF	
O=C(OCCF)N1CCCN(/[N+]([O-])=N/Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	43023884	ZDLLGULMJQBREA-PGMHBOJBSA-N	416.322	1.788	10	1	HDCF	
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](COC(=O)OCCCCCCO)O2)c(=O)[nH]c1=O	26825088	XHODDRASZPZHRF-MCIONIFRSA-N	411.415	1.517	10	1	HDCF	
CSc1c(O)c2c(c(O)c1SC)[C@@H]1CO[C@H]3[C@@H]4C[C@@H](C(=O)O)[C@H]([C@H](C2)N31)N4C	29568474	GFQKINKFUAFOCB-NDVKMTJKSA-N	424.544	1.953	10	1	HDCF	
CC[C@H](C)[C@@H](NC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O)C(=O)O	2356335156	UVFFSOBWYUVHFJ-WNWIJWBNSA-N	413.382	1.808	10	1	HDCF	
COc1ccc(N2CCN(C(=O)Cn3nnc(-c4ccc(N(C)C)cc4)n3)CC2)cc1	1223076	SLDWCDHKIGVMNJ-UHFFFAOYSA-N	421.505	1.764	10	3	HDCF