smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C(=O)[O-])[C@@]12O	ZINC000015115498	571731374	/nfs/dbraw/zinc/73/13/74/571731374.db2.gz	AOCKXACXCVTXBB-OABLPFIQSA-N	-1	0	416.470	3.150	1	0	endogenous,in-man	HGAFRM
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C	ZINC000040164263	574414507	/nfs/dbraw/zinc/41/45/07/574414507.db2.gz	GCAHOAMXTYBLNZ-LHWDWHSDSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cc4ccccc4)CC3)c(F)cc2c1=O	ZINC000005934187	132308690	/nfs/dbraw/zinc/30/86/90/132308690.db2.gz	ZEIULIVASNZVPU-UHFFFAOYSA-N	-1	0	421.472	3.496	1	0		HGAFRM
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C	ZINC000002573072	574411908	/nfs/dbraw/zinc/41/19/08/574411908.db2.gz	BHQCQFFYRZLCQQ-UEXPSFCYSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
COc1cc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])ccc1NC(=O)c1ccccc1	ZINC000004993681	557622247	/nfs/dbraw/zinc/62/22/47/557622247.db2.gz	BEIXOQNTFWYLMY-QBTDHISASA-N	-1	0	406.438	3.409	1	0		HGAFRM
COc1cc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])ccc1NC(=O)c1ccccc1	ZINC000004993680	557622348	/nfs/dbraw/zinc/62/23/48/557622348.db2.gz	BEIXOQNTFWYLMY-ITKAJJHTSA-N	-1	0	406.438	3.409	1	0		HGAFRM
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(CC(=O)N2CCCCC2)n1	ZINC000036425143	581091396	/nfs/dbraw/zinc/09/13/96/581091396.db2.gz	SMVZXLAGKOPTKM-UHFFFAOYSA-N	-1	0	407.923	3.399	1	0		HGAFRM
O=C([O-])c1ccccc1C(=O)Nc1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1	ZINC000004845895	557605834	/nfs/dbraw/zinc/60/58/34/557605834.db2.gz	LIQCHDQJVWPGLZ-ATNYCFDYSA-N	-1	0	404.422	3.173	1	0		HGAFRM
COc1ccc(C([O-])=C(C(=O)C(=O)Nc2nccs2)c2ccc(OC)cc2)cc1	ZINC000102915899	559153497	/nfs/dbraw/zinc/15/34/97/559153497.db2.gz	UPSWIRQXQLGRDS-KRWDZBQOSA-N	-1	0	410.451	3.335	1	0		HGAFRM
C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](O)[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C	ZINC000118913624	571843735	/nfs/dbraw/zinc/84/37/35/571843735.db2.gz	FRYVQXCDSBCDAU-BYWPVRFSSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@@H](O)[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C	ZINC000261495943	571861869	/nfs/dbraw/zinc/86/18/69/571861869.db2.gz	FRYVQXCDSBCDAU-RSAPQEDUSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3C[C@@H](O)[C@]12C	ZINC000040164225	574414473	/nfs/dbraw/zinc/41/44/73/574414473.db2.gz	DAKYVYUAVGJDRK-WIBQEGQOSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C	ZINC000040164243	574414478	/nfs/dbraw/zinc/41/44/78/574414478.db2.gz	GYUVAHWOVINGNE-RWXZXXAWSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
O=C([O-])c1cc(NC(=O)c2cccs2)cnc1N1CCN(c2ccccc2)CC1	ZINC000008602142	132331294	/nfs/dbraw/zinc/33/12/94/132331294.db2.gz	RUYPOLVYWDFBQJ-UHFFFAOYSA-N	-1	0	408.483	3.420	1	0		HGAFRM
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)C[C@@H](O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C	ZINC000118913623	571843654	/nfs/dbraw/zinc/84/36/54/571843654.db2.gz	DAKYVYUAVGJDRK-GFPXGBCGSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)C[C@@H](O)[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C	ZINC000261495593	571861639	/nfs/dbraw/zinc/86/16/39/571861639.db2.gz	DAKYVYUAVGJDRK-SENPUPLDSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C	ZINC000040164258	574414505	/nfs/dbraw/zinc/41/45/05/574414505.db2.gz	BHQCQFFYRZLCQQ-OFYMMLAUSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
CC1=C(C(=O)[O-])[C@@H](c2ccc(OCCCn3ccc4cccnc43)cc2)NC(=O)N1	ZINC000028706687	581093662	/nfs/dbraw/zinc/09/36/62/581093662.db2.gz	QHTAMMKXYVRWJU-LJQANCHMSA-N	-1	0	406.442	3.218	1	0		HGAFRM
COc1cccc(CNC(=O)c2cccc(C(=O)NCc3ccc(C(=O)[O-])cc3)c2)c1	ZINC000045355617	581097359	/nfs/dbraw/zinc/09/73/59/581097359.db2.gz	FSCMLHMAYBLEAH-UHFFFAOYSA-N	-1	0	418.449	3.253	1	0		HGAFRM
COC(=O)C1=CC[C@]23CC[C@H]([C@]2(C(C)=O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)[O-])OC3=O	ZINC000070455099	291236131	/nfs/dbraw/zinc/23/61/31/291236131.db2.gz	XGKRCTHRHFDRIZ-SBJGJGDVSA-N	-1	0	416.470	3.144	1	0	biogenic,in-vitro	HGAFRM
COc1cccc(C(=O)Nc2ccc(NC(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])cc2)c1	ZINC000005012704	557625413	/nfs/dbraw/zinc/62/54/13/557625413.db2.gz	SELGUVIXYGJPBY-NIHZBZNOSA-N	-1	0	406.438	3.409	1	0		HGAFRM
Cc1c2c(cc(=O)n1Cc1ccccc1Cl)[n-]n(-c1nc3ccccc3s1)c2=O	ZINC000137721236	568941295	/nfs/dbraw/zinc/94/12/95/568941295.db2.gz	LOQLPRPQPUEFDQ-UHFFFAOYSA-O	-1	0	423.905	3.354	2	0		HGAFRM
C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4[C@@H](O)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000040164204	574414465	/nfs/dbraw/zinc/41/44/65/574414465.db2.gz	AIHWGPJJINPTRP-BAWBRISISA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
COc1cc(=O)c2c([O-])cc(-c3c(OC)c(OC)c(OC)c(OC)c3OC)oc-2c1	ZINC000015271468	291238506	/nfs/dbraw/zinc/23/85/06/291238506.db2.gz	QGDNIOFJAUCAMW-UHFFFAOYSA-N	-1	0	418.398	3.217	1	0	biogenic,in-vitro	HGAFRM
C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4[C@@H](O)[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C	ZINC000261495942	571861755	/nfs/dbraw/zinc/86/17/55/571861755.db2.gz	FRYVQXCDSBCDAU-MPGPTOFISA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4[C@@H](O)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000040164205	574414477	/nfs/dbraw/zinc/41/44/77/574414477.db2.gz	AIHWGPJJINPTRP-QEMSSKERSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
Cc1c(C(=O)C(N)=O)c2c(c3c(cc2OCC(=O)[O-])CCCC3)n1Cc1ccccc1	ZINC000013608902	581093681	/nfs/dbraw/zinc/09/36/81/581093681.db2.gz	PXKIHESMECOGFM-UHFFFAOYSA-N	-1	0	420.465	3.008	1	0		HGAFRM
C[C@H](CCC(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000002564542	574411927	/nfs/dbraw/zinc/41/19/27/574411927.db2.gz	DKPMWHFRUGMUKF-RLOCNGRPSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
Cc1oc(-c2ccccc2)nc1CCOc1cnc(C[C@@]2(C(=O)[O-])CCCO2)cn1	ZINC000034717817	581094405	/nfs/dbraw/zinc/09/44/05/581094405.db2.gz	MAONNETYMMEJLZ-JOCHJYFZSA-N	-1	0	409.442	3.238	1	0		HGAFRM
O=C([O-])c1cc(NC(=O)c2ccc(Br)cc2)ccc1N1CCOCC1	ZINC000008602110	132331306	/nfs/dbraw/zinc/33/13/06/132331306.db2.gz	KCGAQNOMMHNQFB-UHFFFAOYSA-N	-1	0	405.248	3.236	1	0		HGAFRM
Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C(=O)[O-])[C@@]12O	ZINC000015115500	571731440	/nfs/dbraw/zinc/73/14/40/571731440.db2.gz	AOCKXACXCVTXBB-JLPAWFAOSA-N	-1	0	416.470	3.150	1	0	endogenous,in-man	HGAFRM
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CC(C)(C)OC2	ZINC000004009360	557505048	/nfs/dbraw/zinc/50/50/48/557505048.db2.gz	BPJBQXFMSHWXBY-BVIHXZOGSA-N	-1	0	419.499	3.238	1	0		HGAFRM
C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4[C@@H](O)[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C	ZINC000261495941	571861800	/nfs/dbraw/zinc/86/18/00/571861800.db2.gz	FRYVQXCDSBCDAU-DOMJSLKRSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CC(C)(C)OC2	ZINC000004009361	557505083	/nfs/dbraw/zinc/50/50/83/557505083.db2.gz	BPJBQXFMSHWXBY-PKIAMQTDSA-N	-1	0	419.499	3.238	1	0		HGAFRM
COc1cccc(C(=O)Nc2ccc(NC(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C(=O)[O-])cc2)c1	ZINC000005012702	557625365	/nfs/dbraw/zinc/62/53/65/557625365.db2.gz	SELGUVIXYGJPBY-ITHTXLDVSA-N	-1	0	406.438	3.409	1	0		HGAFRM
COc1ccc(C([O-])=C(C(=O)C(=O)Nc2nccs2)c2ccc(OC)cc2)cc1	ZINC000102915901	559153439	/nfs/dbraw/zinc/15/34/39/559153439.db2.gz	UPSWIRQXQLGRDS-QGZVFWFLSA-N	-1	0	410.451	3.335	1	0		HGAFRM
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C	ZINC000040164264	574414512	/nfs/dbraw/zinc/41/45/12/574414512.db2.gz	GCAHOAMXTYBLNZ-XUPDPMAXSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4[C@@H](O)[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C	ZINC000118913625	571843765	/nfs/dbraw/zinc/84/37/65/571843765.db2.gz	FRYVQXCDSBCDAU-JDGZQIMVSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C	ZINC000040164226	574414482	/nfs/dbraw/zinc/41/44/82/574414482.db2.gz	DAKYVYUAVGJDRK-ILVVTAJNSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3C[C@H](O)[C@]12C	ZINC000040164228	574414488	/nfs/dbraw/zinc/41/44/88/574414488.db2.gz	DAKYVYUAVGJDRK-OIQRMTBLSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
Cc1c(C(=O)C(N)=O)c2c(cccc2OCC(=O)[O-])n1Cc1cccc2ccccc21	ZINC000001543781	581093709	/nfs/dbraw/zinc/09/37/09/581093709.db2.gz	OCZWKLXXLNWSDH-UHFFFAOYSA-N	-1	0	416.433	3.283	1	0		HGAFRM
Cc1oc(-c2ccccc2)nc1CCOc1cnc(C[C@]2(C(=O)[O-])CCCO2)cn1	ZINC000034717816	581094371	/nfs/dbraw/zinc/09/43/71/581094371.db2.gz	MAONNETYMMEJLZ-QFIPXVFZSA-N	-1	0	409.442	3.238	1	0		HGAFRM
Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C(=O)[O-])[C@@]12O	ZINC000015115502	571731284	/nfs/dbraw/zinc/73/12/84/571731284.db2.gz	AOCKXACXCVTXBB-WGMOVWAUSA-N	-1	0	416.470	3.150	1	0	endogenous,in-man	HGAFRM
C[C@@H]1CN(c2cnc3ccccc3n2)C[C@H](C)N1C(=O)Nc1ccccc1C(=O)[O-]	ZINC000028969699	132494662	/nfs/dbraw/zinc/49/46/62/132494662.db2.gz	YCTCYHFNHXCILO-GASCZTMLSA-N	-1	0	405.458	3.459	1	0		HGAFRM
CC(C)(C)n1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4ccccn4)CC3)cc21	ZINC000005834173	534954027	/nfs/dbraw/zinc/95/40/27/534954027.db2.gz	XNBXEJAEIXAJNT-UHFFFAOYSA-N	-1	0	424.476	3.315	1	0		HGAFRM
C[C@@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4[C@@H](O)[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C	ZINC000261495944	571861878	/nfs/dbraw/zinc/86/18/78/571861878.db2.gz	FRYVQXCDSBCDAU-XLSHFHNBSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)C[C@@H](O)[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C	ZINC000261495595	571861423	/nfs/dbraw/zinc/86/14/23/571861423.db2.gz	DAKYVYUAVGJDRK-YSXHOIMJSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
CC1=C(C(=O)[O-])[C@H](c2ccc(OCCCn3ccc4cccnc43)cc2)NC(=O)N1	ZINC000028706689	581093667	/nfs/dbraw/zinc/09/36/67/581093667.db2.gz	QHTAMMKXYVRWJU-IBGZPJMESA-N	-1	0	406.442	3.218	1	0		HGAFRM
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C	ZINC000040164240	574414484	/nfs/dbraw/zinc/41/44/84/574414484.db2.gz	BHQCQFFYRZLCQQ-NSYKHXCCSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
C[C@H](CCC(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3[C@H](O)[C@@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000085551930	574416645	/nfs/dbraw/zinc/41/66/45/574416645.db2.gz	DKPMWHFRUGMUKF-SJTUFSFASA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
Cc1cc(-c2ccc(F)cc2)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(C(C)C)[n+]1[O-]	ZINC000013861073	581092066	/nfs/dbraw/zinc/09/20/66/581092066.db2.gz	UBACEEVBBAYIEE-RKQNLGICSA-N	-1	0	403.450	3.158	1	0		HGAFRM
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)C[C@H](O)[C@]4(C)[C@H]3C[C@@H](O)[C@]12C	ZINC000261495594	571861480	/nfs/dbraw/zinc/86/14/80/571861480.db2.gz	DAKYVYUAVGJDRK-XMQKMFALSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C	ZINC000040164246	574414491	/nfs/dbraw/zinc/41/44/91/574414491.db2.gz	BHQCQFFYRZLCQQ-PWNRUWOFSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
CCc1c(C(=O)C(N)=O)c2c(cccc2OCC(=O)[O-])n1Cc1cccc(Cl)c1	ZINC000001543782	581094373	/nfs/dbraw/zinc/09/43/73/581094373.db2.gz	NFFDUBFVBHVZQY-UHFFFAOYSA-N	-1	0	414.845	3.037	1	0		HGAFRM
COc1ccc(/C=C/COc2ccccc2C(=O)[O-])cc1Cc1cnc(N)nc1N	ZINC000029249192	581096086	/nfs/dbraw/zinc/09/60/86/581096086.db2.gz	DINWCFBBTDJSMT-SNAWJCMRSA-N	-1	0	406.442	3.031	1	0		HGAFRM
CN(C)C(=O)c1ccc(-c2ccc3ncnc(N4CCC(C(=O)[O-])CC4)c3c2)cc1	ZINC000004266075	536099027	/nfs/dbraw/zinc/09/90/27/536099027.db2.gz	HOUQLBWECNACGO-UHFFFAOYSA-N	-1	0	404.470	3.300	1	0		HGAFRM
C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)C[C@@H](O)[C@]4(C)[C@H]3C[C@H](O)[C@@]21C	ZINC000261495591	571861395	/nfs/dbraw/zinc/86/13/95/571861395.db2.gz	DAKYVYUAVGJDRK-JZZHUYGISA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
O=C([O-])c1ccccc1C(=O)Nc1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1	ZINC000004845894	557605858	/nfs/dbraw/zinc/60/58/58/557605858.db2.gz	LIQCHDQJVWPGLZ-QXUMQBBKSA-N	-1	0	404.422	3.173	1	0		HGAFRM
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)C[C@@H](O)[C@]4(C)[C@H]3C[C@@H](O)[C@]12C	ZINC000139291342	571850843	/nfs/dbraw/zinc/85/08/43/571850843.db2.gz	DAKYVYUAVGJDRK-GAKVVBDSSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3C[C@@H](O)[C@]12C	ZINC000040164227	574414492	/nfs/dbraw/zinc/41/44/92/574414492.db2.gz	DAKYVYUAVGJDRK-BWMPAFQLSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
C[C@@H]1CN(c2cnc3ccccc3n2)[C@@H](C)CN1C(=O)Nc1ccccc1C(=O)[O-]	ZINC000028969693	132494664	/nfs/dbraw/zinc/49/46/64/132494664.db2.gz	QBHAXVMDZHWGKN-LSDHHAIUSA-N	-1	0	405.458	3.459	1	0		HGAFRM
Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3CC(C)(C)C[C@@H]3C=C(C(=O)[O-])[C@@]12O	ZINC000015115496	571731137	/nfs/dbraw/zinc/73/11/37/571731137.db2.gz	AOCKXACXCVTXBB-JDUHMGRJSA-N	-1	0	416.470	3.150	1	0	endogenous,in-man	HGAFRM
C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)C[C@@H](O)[C@]4(C)[C@H]3C[C@H](O)[C@@]21C	ZINC000261495592	571861635	/nfs/dbraw/zinc/86/16/35/571861635.db2.gz	DAKYVYUAVGJDRK-NWCOFLDMSA-N	-1	0	408.579	3.449	1	0	endogenous,in-man	HGAFRM
Cc1cc(-c2ccc(F)cc2)c(/C=C/[C@H](O)C[C@@H](O)CC(=O)[O-])c(C(C)C)[n+]1[O-]	ZINC000027524479	581092006	/nfs/dbraw/zinc/09/20/06/581092006.db2.gz	UBACEEVBBAYIEE-CWDJHMJFSA-N	-1	0	403.450	3.158	1	0		HGAFRM