smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCC#Cc1nc2c(ncn2[C@@H]2O[C@H](C(=O)NC3CC3)[C@@H](O)[C@H]2O)c(N)n1	ZINC000003779695	581091483	/nfs/dbraw/zinc/09/14/83/581091483.db2.gz	MLFDUZLAHVXVDL-QCUYGVNKSA-N	0	0	400.439	-0.152	1	30		HBEFRN
C=C(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CCCCC(C)(C)O)C(=O)[C@@]1(CO)CO1	ZINC000003982125	560192968	/nfs/dbraw/zinc/19/29/68/560192968.db2.gz	UUYGJEDLSUBYHW-AUSJPIAWSA-N	0	0	414.499	-0.424	1	30	in-vitro	HBEFRN
C=C(CCO)C(=O)OC[C@H]1O[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000005157359	291161549	/nfs/dbraw/zinc/16/15/49/291161549.db2.gz	NAKQJOAAYRWURE-OAXOJBTLSA-N	0	0	408.403	-0.468	1	30	biogenic,in-vitro	HBEFRN
COc1cccc2c1[C@H](OC)[C@]13O[C@@]1(C2=O)[C@H](O)[C@H](C)[C@@](O)(C(=O)[C@@H]1O[C@H]1C)[C@@H]3O	ZINC000006041493	560204809	/nfs/dbraw/zinc/20/48/09/560204809.db2.gz	WWNXYRCJJRRWAQ-ALCXHWRFSA-N	0	0	420.414	-0.454	1	30	in-vitro	HBEFRN
Nc1nc(C#CC2(O)CCCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000012405366	581095914	/nfs/dbraw/zinc/09/59/14/581095914.db2.gz	SLTSKXYKTQZSKX-XKLVTHTNSA-N	0	0	403.439	-0.543	1	30		HBEFRN
CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(C#Cc2cccs2)nc3N)[C@H](O)[C@@H]1O	ZINC000012405844	581095472	/nfs/dbraw/zinc/09/54/72/581095472.db2.gz	VKKBMFFFMITCPD-MOROJQBDSA-N	0	0	414.447	-0.375	1	30		HBEFRN
CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(C#Cc2nccs2)nc3N)[C@H](O)[C@@H]1O	ZINC000012405845	581095460	/nfs/dbraw/zinc/09/54/60/581095460.db2.gz	GEERMPLJABIPET-PFHKOEEOSA-N	0	0	415.435	-0.980	1	30		HBEFRN
COc1ccc(S(=O)(=O)N2C[C@@H](N(C)S(C)(=O)=O)C[C@@H]2C(=O)NO)cc1	ZINC000013835724	581097637	/nfs/dbraw/zinc/09/76/37/581097637.db2.gz	TZQQXIZDSZWWPC-GXFFZTMASA-N	0	0	407.470	-0.776	1	30		HBEFRN
C=C(C)C[C@@H](NC(=O)[C@H](CO)NC(=O)CCCCC(C)(C)O)C(=O)[C@@]1(CO)CO1	ZINC000013914818	560220939	/nfs/dbraw/zinc/22/09/39/560220939.db2.gz	UUYGJEDLSUBYHW-QEEYODRMSA-N	0	0	414.499	-0.424	1	30	in-vitro	HBEFRN
C=C(C)C[C@@H](NC(=O)[C@H](CO)NC(=O)CCCCC(C)(C)O)C(=O)[C@]1(CO)CO1	ZINC000013914820	560220938	/nfs/dbraw/zinc/22/09/38/560220938.db2.gz	UUYGJEDLSUBYHW-SIFCLUCFSA-N	0	0	414.499	-0.424	1	30	in-vitro	HBEFRN
C=C(C)C[C@H](NC(=O)[C@H](CO)NC(=O)CCCCC(C)(C)O)C(=O)[C@]1(CO)CO1	ZINC000013914821	560221069	/nfs/dbraw/zinc/22/10/69/560221069.db2.gz	UUYGJEDLSUBYHW-AVYPCKFXSA-N	0	0	414.499	-0.424	1	30	in-vitro	HBEFRN
CC(/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C)=C\CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000014411638	571705108	/nfs/dbraw/zinc/70/51/08/571705108.db2.gz	PMGQCIZHFNQTAO-YTBINWTASA-N	0	0	412.479	-0.018	1	30	endogenous,in-man	HBEFRN
CC(/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C)=C\CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000014411646	571704999	/nfs/dbraw/zinc/70/49/99/571704999.db2.gz	PMGQCIZHFNQTAO-DDZQMDHHSA-N	0	0	412.479	-0.018	1	30	endogenous,in-man	HBEFRN
Nc1nc(C#CC2(O)CCCCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000026295204	581095880	/nfs/dbraw/zinc/09/58/80/581095880.db2.gz	OUCLCSGSTIHYBH-XXHPDZBISA-N	0	0	417.466	-0.153	1	30		HBEFRN
Nc1nc(C#CC2(O)CCCCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	ZINC000026295206	581095901	/nfs/dbraw/zinc/09/59/01/581095901.db2.gz	OUCLCSGSTIHYBH-BMHLXIAXSA-N	0	0	417.466	-0.153	1	30		HBEFRN
Nc1nc(C#CC2(O)CCCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000026377007	581095886	/nfs/dbraw/zinc/09/58/86/581095886.db2.gz	SLTSKXYKTQZSKX-WHTWZSQMSA-N	0	0	403.439	-0.543	1	30		HBEFRN
Nc1nc(C#CC2(O)CCCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	ZINC000026377009	581095916	/nfs/dbraw/zinc/09/59/16/581095916.db2.gz	SLTSKXYKTQZSKX-DQADVMEASA-N	0	0	403.439	-0.543	1	30		HBEFRN
CCCCC#Cc1nc2c(ncn2[C@@H]2O[C@H](C(=O)NC3CC3)[C@H](O)[C@@H]2O)c(N)n1	ZINC000026733806	581091577	/nfs/dbraw/zinc/09/15/77/581091577.db2.gz	MLFDUZLAHVXVDL-MMMWYMCRSA-N	0	0	400.439	-0.152	1	30		HBEFRN
CCCCC#Cc1nc2c(ncn2[C@@H]2O[C@H](C(=O)NC3CC3)[C@H](O)[C@H]2O)c(N)n1	ZINC000026733809	581091579	/nfs/dbraw/zinc/09/15/79/581091579.db2.gz	MLFDUZLAHVXVDL-BKEDOTJMSA-N	0	0	400.439	-0.152	1	30		HBEFRN
CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(C#Cc2nccs2)nc3N)[C@@H](O)[C@H]1O	ZINC000027622922	581095405	/nfs/dbraw/zinc/09/54/05/581095405.db2.gz	GEERMPLJABIPET-ZOPJHEKZSA-N	0	0	415.435	-0.980	1	30		HBEFRN
CC#CCOc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC[C@@H]2C(=O)NO)cc1	ZINC000028331433	581093846	/nfs/dbraw/zinc/09/38/46/581093846.db2.gz	JKWHUKMFJPDCMY-OAHLLOKOSA-N	0	0	416.477	-0.228	1	30		HBEFRN
CC#CCOc1ccc(S(=O)(=O)N2CCS(=O)(=O)CC[C@H]2C(=O)NO)cc1	ZINC000028331436	581093748	/nfs/dbraw/zinc/09/37/48/581093748.db2.gz	JKWHUKMFJPDCMY-HNNXBMFYSA-N	0	0	416.477	-0.228	1	30		HBEFRN
CCNC(=O)[C@@H]1O[C@@H](n2cnc3c2nc(C#Cc2nccs2)nc3N)[C@@H](O)[C@@H]1O	ZINC000029238685	581095458	/nfs/dbraw/zinc/09/54/58/581095458.db2.gz	GEERMPLJABIPET-APNQJHFZSA-N	0	0	415.435	-0.980	1	30		HBEFRN
CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(C#Cc2nccs2)nc3N)[C@@H](O)[C@@H]1O	ZINC000029238692	581095528	/nfs/dbraw/zinc/09/55/28/581095528.db2.gz	GEERMPLJABIPET-NEULZYRMSA-N	0	0	415.435	-0.980	1	30		HBEFRN
CCNC(=O)[C@@H]1O[C@H](n2cnc3c2nc(C#Cc2nccs2)nc3N)[C@@H](O)[C@@H]1O	ZINC000029238699	581095465	/nfs/dbraw/zinc/09/54/65/581095465.db2.gz	GEERMPLJABIPET-JRATXPSKSA-N	0	0	415.435	-0.980	1	30		HBEFRN
CCNC(=O)[C@H]1O[C@H](n2cnc3c2nc(C#Cc2nccs2)nc3N)[C@@H](O)[C@@H]1O	ZINC000029238706	581095518	/nfs/dbraw/zinc/09/55/18/581095518.db2.gz	GEERMPLJABIPET-MRHIQRDNSA-N	0	0	415.435	-0.980	1	30		HBEFRN
C=C(CCO)C(=O)OC[C@H]1O[C@@H](OC(=O)/C=C\c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000034517808	291161558	/nfs/dbraw/zinc/16/15/58/291161558.db2.gz	NAKQJOAAYRWURE-QKZSZZOLSA-N	0	0	408.403	-0.468	1	30	biogenic,in-vitro	HBEFRN
CCNC(=O)[C@@H]1O[C@@H](n2cnc3c2nc(C#Cc2nccs2)nc3N)[C@@H](O)[C@H]1O	ZINC000036272459	581095526	/nfs/dbraw/zinc/09/55/26/581095526.db2.gz	GEERMPLJABIPET-IPJQOSJUSA-N	0	0	415.435	-0.980	1	30		HBEFRN
C/C=C\[C@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O	ZINC000040423387	291161145	/nfs/dbraw/zinc/16/11/45/291161145.db2.gz	FCGCMRDADMTJIM-LFDIKFNASA-N	0	0	417.414	-0.387	1	30	in-vitro	HBEFRN
CCNC(=O)[C@H]1O[C@H](n2cnc3c2nc(C#Cc2nccs2)nc3N)[C@H](O)[C@@H]1O	ZINC000049000089	581095420	/nfs/dbraw/zinc/09/54/20/581095420.db2.gz	GEERMPLJABIPET-LKQDWFRTSA-N	0	0	415.435	-0.980	1	30		HBEFRN
Nc1nc(N=NC=C2C[C@H]3CC[C@@H]2C3)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000049016052	581095987	/nfs/dbraw/zinc/09/59/87/581095987.db2.gz	QBUVHDISZWNLKB-GZNGMRNLSA-N	0	0	401.427	-0.226	1	30		HBEFRN
Nc1nc(N=NC=C2C[C@H]3CC[C@@H]2C3)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000049016056	581095894	/nfs/dbraw/zinc/09/58/94/581095894.db2.gz	QBUVHDISZWNLKB-FEDQINPRSA-N	0	0	401.427	-0.226	1	30		HBEFRN
CCNC(=O)[C@H]1O[C@H](n2cnc3c2nc(C#Cc2cccs2)nc3N)[C@H](O)[C@@H]1O	ZINC000049054226	581095414	/nfs/dbraw/zinc/09/54/14/581095414.db2.gz	VKKBMFFFMITCPD-AHXJXLJNSA-N	0	0	414.447	-0.375	1	30		HBEFRN
C=C1CC[C@H]2C(=C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12	ZINC000070451177	291161541	/nfs/dbraw/zinc/16/15/41/291161541.db2.gz	NFPFDUCKBQMYPB-KBPZUBEWSA-N	0	0	408.447	-0.188	1	30	biogenic,in-vitro	HBEFRN
C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@@H]12	ZINC000071289574	518657522	/nfs/dbraw/zinc/65/75/22/518657522.db2.gz	SIOXYUXOHTZOOM-BETKIOCASA-N	0	0	424.446	-0.126	1	30		HBEFRN
C=C1C(=O)[C@]23[C@H](O)[C@H]1CC[C@@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1[C@](C)(COC(C)=O)CC[C@H]2O	ZINC000085542062	291161941	/nfs/dbraw/zinc/16/19/41/291161941.db2.gz	WXIZMFKMNALSKU-QTFJORQBSA-N	0	0	422.474	-0.081	1	30	biogenic,in-vitro	HBEFRN
CC1=CC(=O)[C@H](O)[C@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(C)[C@@]4(C)OC[C@@]13[C@H]2[C@H](O)[C@@H]4O	ZINC000095099280	291164049	/nfs/dbraw/zinc/16/40/49/291164049.db2.gz	QTZILTONFNPYHM-NIQBXDPWSA-N	0	0	408.447	-0.678	1	30	biogenic,in-vitro	HBEFRN
C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1[C@](C)(COC(C)=O)CC[C@@H]2O	ZINC000095909330	291161562	/nfs/dbraw/zinc/16/15/62/291161562.db2.gz	WCTFNFXLZNQINE-FCGYEXDISA-N	0	0	422.474	-0.081	1	30	biogenic,in-vitro	HBEFRN
CC(=O)/C=C/C=C1\C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000095910124	291162020	/nfs/dbraw/zinc/16/20/20/291162020.db2.gz	CLCCGVNLPKLTCD-ITBHVQIGSA-N	0	0	400.468	-0.186	1	30	biogenic,in-vitro	HBEFRN
CC(=O)/C=C\C=C1/C(C)(C)C[C@H](O)C[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000095910125	291161949	/nfs/dbraw/zinc/16/19/49/291161949.db2.gz	CLCCGVNLPKLTCD-QPEGOCFCSA-N	0	0	400.468	-0.186	1	30	biogenic,in-vitro	HBEFRN
CC1=CC(=O)C2=C(C)C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]3[C@H](OC(=O)[C@H]3C)[C@@H]12	ZINC000095910328	291164081	/nfs/dbraw/zinc/16/40/81/291164081.db2.gz	HUJZRYXCOXOEHU-DFLCKBGMSA-N	0	0	424.446	-0.785	1	30	biogenic,in-vitro	HBEFRN
C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1[C@](C)(COC(C)=O)CC[C@H]2O	ZINC000095911184	291161543	/nfs/dbraw/zinc/16/15/43/291161543.db2.gz	WCTFNFXLZNQINE-MQKGVAGOSA-N	0	0	422.474	-0.081	1	30	biogenic,in-vitro	HBEFRN
CC1=CC(=O)C2=C(C)CC[C@@H]3[C@H](OC(=O)[C@]3(C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12	ZINC000095912119	291163688	/nfs/dbraw/zinc/16/36/88/291163688.db2.gz	FVSUVYLVYCAWSC-LPKHNSLGSA-N	0	0	424.446	-0.641	1	30	biogenic,in-vitro	HBEFRN
C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1[C@](C)(COC(C)=O)[C@@H](O)C[C@H]2O	ZINC000095913441	291161539	/nfs/dbraw/zinc/16/15/39/291161539.db2.gz	HMWUNMFAGJJPBJ-UVFJNWMDSA-N	0	0	422.474	-0.081	1	30	biogenic,in-vitro	HBEFRN
C[C@H]1O[C@@H]([C@@H]2[C@H](O)C[C@H]3OC(c4ccc(O)cc4)=CC(=O)[C@@H]3[C@H]2O)C[C@H](O)[C@H]1O	ZINC000095919063	291167874	/nfs/dbraw/zinc/16/78/74/291167874.db2.gz	GVMVIIXQVWEKAF-GEZMLBCSSA-N	0	0	406.431	-0.042	1	30	biogenic,in-vitro	HBEFRN
CC1=CC(=O)C[C@@H](C)[C@]12CC[C@H]([C@@](C)(O)CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C2	ZINC000100774327	574418651	/nfs/dbraw/zinc/41/86/51/574418651.db2.gz	FSQYQQPZIHCQMQ-HCTIPTQVSA-N	0	0	414.495	-0.104	1	30	endogenous,in-man	HBEFRN
CC1=CC(=O)C[C@H](C)[C@]12CC[C@H]([C@@](C)(O)CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C2	ZINC000100774330	574418648	/nfs/dbraw/zinc/41/86/48/574418648.db2.gz	FSQYQQPZIHCQMQ-FZVKAUPNSA-N	0	0	414.495	-0.104	1	30	endogenous,in-man	HBEFRN
CC1=CC(=O)C[C@@H](C)[C@@]12CC[C@H]([C@@](C)(O)CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C2	ZINC000100774333	574418647	/nfs/dbraw/zinc/41/86/47/574418647.db2.gz	FSQYQQPZIHCQMQ-ACNJYGSISA-N	0	0	414.495	-0.104	1	30	endogenous,in-man	HBEFRN
CC1=CC(=O)C[C@H](C)[C@@]12CC[C@H]([C@@](C)(O)CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C2	ZINC000100774337	574418650	/nfs/dbraw/zinc/41/86/50/574418650.db2.gz	FSQYQQPZIHCQMQ-FYESZSSRSA-N	0	0	414.495	-0.104	1	30	endogenous,in-man	HBEFRN
CC1=CC(=O)C[C@@H](C)[C@]12CC[C@H]([C@@](C)(CO)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C2	ZINC000100776859	574418686	/nfs/dbraw/zinc/41/86/86/574418686.db2.gz	UQEPDFZSKJICHS-AZGSYETCSA-N	0	0	414.495	-0.104	1	30	endogenous,in-man	HBEFRN
CC1=CC(=O)C[C@H](C)[C@]12CC[C@H]([C@@](C)(CO)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C2	ZINC000100776861	574418684	/nfs/dbraw/zinc/41/86/84/574418684.db2.gz	UQEPDFZSKJICHS-NZHIJFHRSA-N	0	0	414.495	-0.104	1	30	endogenous,in-man	HBEFRN
CC1=CC(=O)C[C@@H](C)[C@@]12CC[C@H]([C@@](C)(CO)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C2	ZINC000100776863	574418689	/nfs/dbraw/zinc/41/86/89/574418689.db2.gz	UQEPDFZSKJICHS-QDXDETGBSA-N	0	0	414.495	-0.104	1	30	endogenous,in-man	HBEFRN
CC1=CC(=O)C[C@H](C)[C@@]12CC[C@H]([C@@](C)(CO)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C2	ZINC000100776865	574418690	/nfs/dbraw/zinc/41/86/90/574418690.db2.gz	UQEPDFZSKJICHS-BQCWZIRCSA-N	0	0	414.495	-0.104	1	30	endogenous,in-man	HBEFRN
CC(/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C)=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000100783263	571839442	/nfs/dbraw/zinc/83/94/42/571839442.db2.gz	PMGQCIZHFNQTAO-RIGSANDYSA-N	0	0	412.479	-0.018	1	30	endogenous,in-man	HBEFRN
CC(/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C)=C\CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000100783264	571839526	/nfs/dbraw/zinc/83/95/26/571839526.db2.gz	PMGQCIZHFNQTAO-LESAVOQTSA-N	0	0	412.479	-0.018	1	30	endogenous,in-man	HBEFRN
C=C1CC[C@H]2C(=C)[C@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)C[C@H]3[C@@H](C)C(=O)O[C@H]3[C@@H]12	ZINC000100783960	571840992	/nfs/dbraw/zinc/84/09/92/571840992.db2.gz	RCMFOCNCKTYXQN-LXDZVTPVSA-N	0	0	410.463	-0.109	1	30	endogenous,in-man	HBEFRN
C=C1CC[C@H]2C(=C)[C@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)C[C@@H]3[C@@H](OC(=O)[C@H]3C)[C@@H]12	ZINC000100783961	571841005	/nfs/dbraw/zinc/84/10/05/571841005.db2.gz	RCMFOCNCKTYXQN-MIJQXCAESA-N	0	0	410.463	-0.109	1	30	endogenous,in-man	HBEFRN
C=C1CC[C@H]2C(=C)[C@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)C[C@@H]3[C@@H](C)C(=O)O[C@H]3[C@@H]12	ZINC000100783963	571840996	/nfs/dbraw/zinc/84/09/96/571840996.db2.gz	RCMFOCNCKTYXQN-VAQFAASZSA-N	0	0	410.463	-0.109	1	30	endogenous,in-man	HBEFRN
C=C1CC[C@H]2C(=C)[C@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)C[C@H]3[C@@H](OC(=O)[C@H]3C)[C@@H]12	ZINC000100783965	571840889	/nfs/dbraw/zinc/84/08/89/571840889.db2.gz	RCMFOCNCKTYXQN-YCXIRYJXSA-N	0	0	410.463	-0.109	1	30	endogenous,in-man	HBEFRN
C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C(=O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)CC[C@@H]12	ZINC000103569519	291161552	/nfs/dbraw/zinc/16/15/52/291161552.db2.gz	SIOXYUXOHTZOOM-IRMYOXSFSA-N	0	0	424.446	-0.126	1	30	biogenic,in-vitro	HBEFRN
Nc1nc(N=NC=C2C[C@@H]3CC[C@H]2C3)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000169322517	581095899	/nfs/dbraw/zinc/09/58/99/581095899.db2.gz	QBUVHDISZWNLKB-CGYKMERJSA-N	0	0	401.427	-0.226	1	30		HBEFRN