smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C[C@@]1(C)O[C@H]1C[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)[O-]	ZINC000096927021	185392052	/nfs/dbraw/zinc/39/20/52/185392052.db2.gz	WGURGXZGVSMKKG-YDMLNEHTSA-N	-1	0	318.457	4.584	1	30		DJEFRM
C/C(=C\C(=O)[O-])CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CC(=O)C[C@H]21	ZINC000014446390	181952195	/nfs/dbraw/zinc/95/21/95/181952195.db2.gz	SLMFLTPPPXRYHP-BENRCLHBSA-N	-1	0	318.457	4.775	1	30		DJEFRM
C=Cc1c(C)c(O)cc2c1CC[C@H](C(=C)C)[C@@]2(C)CCC(=O)[O-]	ZINC000014508604	181956066	/nfs/dbraw/zinc/95/60/66/181956066.db2.gz	HTOAHNGZMIHCSH-OXQOHEQNSA-N	-1	0	314.425	4.605	1	30		DJEFRM
C=C1C[C@]23C[C@H]1CC=C2[C@]1(C)CCC[C@](C)(C(=O)[O-])[C@H]1CC3	ZINC000032271771	182639088	/nfs/dbraw/zinc/63/90/88/182639088.db2.gz	RJIPNPHMQGDUBW-RNEXODBNSA-N	-1	0	300.442	4.960	1	30		DJEFRM
Cn1c2ccccc2c2c1c1[nH]c3ccccc3c1c(C#N)c2[O-]	ZINC000038781661	183009518	/nfs/dbraw/zinc/00/95/18/183009518.db2.gz	NOUAWDWDINGQBW-UHFFFAOYSA-N	-1	0	311.344	4.543	1	30		DJEFRM
Cc1ccccc1SC1=C([O-])OC2(CCCCC2)CC1=O	ZINC000040743487	183128051	/nfs/dbraw/zinc/12/80/51/183128051.db2.gz	CAOHDWLXMRAYGK-UHFFFAOYSA-N	-1	0	304.411	4.507	1	30		DJEFRM
C/C(=C\C(=O)[O-])CC[C@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CC(=O)C[C@@H]12	ZINC000040953724	183150702	/nfs/dbraw/zinc/15/07/02/183150702.db2.gz	SLMFLTPPPXRYHP-PECOGNCOSA-N	-1	0	318.457	4.775	1	30		DJEFRM
CCCCCCCC[C@H]1SC(=O)c2ccccc2[C@@H]1C(=O)[O-]	ZINC000042879109	183316304	/nfs/dbraw/zinc/31/63/04/183316304.db2.gz	VOFUNXSVMNTEOA-CVEARBPZSA-N	-1	0	320.454	4.861	1	30		DJEFRM
C=C[C@](C)(O)CC[C@H]1C(=C)CC[C@H]2[C@](C)(C(=O)[O-])CCC[C@@]21C	ZINC000031158649	519301617	/nfs/dbraw/zinc/30/16/17/519301617.db2.gz	LMODNMXJBXUOQF-KRFUXDQASA-N	-1	0	320.473	4.567	1	30		DJEFRM
C=C1CC[C@@H]2C(C)(C)C[C@@H](O)C[C@@]2(C)[C@H]1CC/C(C)=C\C(=O)[O-]	ZINC000095912037	560057630	/nfs/dbraw/zinc/05/76/30/560057630.db2.gz	PUWSLGIIKGDKAD-FYHPMAHLSA-N	-1	0	320.473	4.567	1	30	biogenic,in-vitro	DJEFRM
C=C1C[C@@]23C=C[C@H]4[C@@](C)(C(=O)[O-])CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3	ZINC000100780460	571833343	/nfs/dbraw/zinc/83/33/43/571833343.db2.gz	CZTZKVUEUYRGFD-FUPFEQNASA-N	-1	0	300.442	4.816	1	30	endogenous,in-man	DJEFRM
C=CC(C)(C)c1c2oc(C(=C)C)cc2c2oc(=O)ccc2c1[O-]	ZINC000069481963	290935430	/nfs/dbraw/zinc/93/54/30/290935430.db2.gz	RNKVXFFNZBAPTF-UHFFFAOYSA-N	-1	0	310.349	4.742	1	30	biogenic,in-vitro	DJEFRM
O=C(/C=C/c1cccc(Cl)c1)c1coc2cc(F)c([O-])cc12	ZINC000096921271	185391862	/nfs/dbraw/zinc/39/18/62/185391862.db2.gz	YVGBQTWLEFHCNA-SNAWJCMRSA-N	-1	0	316.715	4.827	1	30		DJEFRM
C=C1C[C@]23C[C@H]1CC=C2[C@]1(C)CCC[C@@](C)(C(=O)[O-])[C@H]1CC3	ZINC000006032270	181306975	/nfs/dbraw/zinc/30/69/75/181306975.db2.gz	RJIPNPHMQGDUBW-RFGKEDTNSA-N	-1	0	300.442	4.960	1	30	biogenic	DJEFRM
C=CCCCC[C@@H](C)CCC/C=C/C#CCC[C@H](OC)C(=O)[O-]	ZINC000014490768	181955587	/nfs/dbraw/zinc/95/55/87/181955587.db2.gz	KHBWVVURFCWYNT-ZSQQTYLHSA-N	-1	0	320.473	4.979	1	30		DJEFRM
C=C[C@](C)(O)CC[C@H]1C(=C)CC[C@@H]2[C@]1(C)CCC[C@]2(C)C(=O)[O-]	ZINC000040848442	183140719	/nfs/dbraw/zinc/14/07/19/183140719.db2.gz	LMODNMXJBXUOQF-ZRSLWSEBSA-N	-1	0	320.473	4.567	1	30		DJEFRM
CC(C)Cc1csc(NC(=O)C=Cc2ccco2)c1C(=O)[O-]	ZINC000016696202	182058195	/nfs/dbraw/zinc/05/81/95/182058195.db2.gz	MNGXZCCWMLFRQT-WAYWQWQTSA-N	-1	0	319.382	4.539	1	30		DJEFRM
C=C(CC(=O)[O-])C(=O)C[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@@H]21	ZINC000040379209	183057850	/nfs/dbraw/zinc/05/78/50/183057850.db2.gz	ZCSPQXGZOGRGDG-LQJIQPLVSA-N	-1	0	318.457	4.775	1	30		DJEFRM
Cc1ccc(C)c(SC2=C([O-])OC3(CCCCC3)CC2=O)c1	ZINC000040540618	183097381	/nfs/dbraw/zinc/09/73/81/183097381.db2.gz	ZVSCMBZNGIFQFY-UHFFFAOYSA-N	-1	0	318.438	4.815	1	30		DJEFRM
C=CCCCC[C@H](C)CCC/C=C\C#CCC[C@H](OC)C(=O)[O-]	ZINC000040916427	183148269	/nfs/dbraw/zinc/14/82/69/183148269.db2.gz	KHBWVVURFCWYNT-XSAZBNQGSA-N	-1	0	320.473	4.979	1	30		DJEFRM
CC1=CC(=O)C[C@H]2[C@](C)(CC[C@@H](C)CC(=O)[O-])[C@H](C)CC[C@]12C	ZINC000043510909	183368747	/nfs/dbraw/zinc/36/87/47/183368747.db2.gz	RNWHJFUXZQBBLK-GVEXGNBASA-N	-1	0	320.473	4.855	1	30		DJEFRM
C=C[C@@](C)(O)CC[C@H]1C(=C)CC[C@@H]2[C@](C)(C(=O)[O-])CCC[C@]12C	ZINC000031158665	519298822	/nfs/dbraw/zinc/29/88/22/519298822.db2.gz	LMODNMXJBXUOQF-ORFRNNEJSA-N	-1	0	320.473	4.567	1	30		DJEFRM
CC(C)=CCOc1ccc(C(=O)/C=C/c2ccccc2)c([O-])c1	ZINC000013483573	560103030	/nfs/dbraw/zinc/10/30/30/560103030.db2.gz	DGUGLZYULGVSIZ-DHZHZOJOSA-N	-1	0	308.377	4.633	1	30	biogenic,in-vivo	DJEFRM
C=C[C@](C)(O)CC[C@H]1C(=C)CC[C@@H]2[C@](C)(C(=O)[O-])CCC[C@]12C	ZINC000031158660	519301751	/nfs/dbraw/zinc/30/17/51/519301751.db2.gz	LMODNMXJBXUOQF-FLFBIERCSA-N	-1	0	320.473	4.567	1	30		DJEFRM
C=C1C[C@@]23C=C[C@@H]4[C@](C)(CCC[C@]4(C)C(=O)[O-])[C@@H]2CC[C@@H]1C3	ZINC000100780461	571833324	/nfs/dbraw/zinc/83/33/24/571833324.db2.gz	CZTZKVUEUYRGFD-CWQWKTJFSA-N	-1	0	300.442	4.816	1	30	endogenous,in-man	DJEFRM
COc1ccc(C(=O)/C=C/C=C/c2ccc(Cl)cc2)c([O-])c1	ZINC000095589996	185382050	/nfs/dbraw/zinc/38/20/50/185382050.db2.gz	KEWYTAVDXXWXTN-ZUVMSYQZSA-N	-1	0	314.768	4.507	1	30		DJEFRM
C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@@H]1CC/C(C)=C/C(=O)[O-]	ZINC000033831112	560088515	/nfs/dbraw/zinc/08/85/15/560088515.db2.gz	LNWOKEZJIRLIDO-MCHVSEEESA-N	-1	0	320.473	4.567	1	30	biogenic,in-vitro	DJEFRM
C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)[O-]	ZINC000084713297	192460527	/nfs/dbraw/zinc/46/05/27/192460527.db2.gz	HZIPQMQRBXJVNO-KSVKHWKZSA-N	-1	0	318.457	4.775	1	30		DJEFRM
COc1ccc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c([O-])c1	ZINC000073223854	191295625	/nfs/dbraw/zinc/29/56/25/191295625.db2.gz	GVSDBGRDRJIGTO-XVNBXDOJSA-N	-1	0	323.175	4.604	1	30		DJEFRM
CCc1ccccc1SC1=C([O-])OC2(CCCCC2)CC1=O	ZINC000040540625	183096777	/nfs/dbraw/zinc/09/67/77/183096777.db2.gz	VESKHGQTIJOKTH-UHFFFAOYSA-N	-1	0	318.438	4.761	1	30		DJEFRM
C=C[C@@]1(C)CC[C@H]2[C@]3(C)CCC[C@@](C)(C(=O)[O-])[C@H]3CC[C@]2(C)O1	ZINC000040980256	183154341	/nfs/dbraw/zinc/15/43/41/183154341.db2.gz	POQLUTMXUBSNEN-UMBUOUCESA-N	-1	0	320.473	4.808	1	30		DJEFRM
C=C1CC[C@H]2[C@](C)(CCC[C@]2(C)C(=O)[O-])[C@H]1CC[C@H](C)CCO	ZINC000038927918	560081731	/nfs/dbraw/zinc/08/17/31/560081731.db2.gz	NSRKLZRKJJQJLD-LPXKSRHMSA-N	-1	0	322.489	4.649	1	30	biogenic,in-vitro	DJEFRM
C=C[C@](C)(O)CC[C@]1(C)[C@H]2CC(C(=O)[O-])=C(C)[C@]2(C)CC[C@H]1C	ZINC000033832145	560088412	/nfs/dbraw/zinc/08/84/12/560088412.db2.gz	SOBYMLTWZSESRW-XKBGQOJESA-N	-1	0	320.473	4.567	1	30	biogenic,in-vitro	DJEFRM
O=C(/C=C/c1ccc(-c2ccccc2)cc1)c1ccccc1[O-]	ZINC000040951982	183150429	/nfs/dbraw/zinc/15/04/29/183150429.db2.gz	OPPYKLKRHFXOKU-NTCAYCPXSA-N	-1	0	300.357	4.955	1	30		DJEFRM
C=C1C[C@@]23C=C[C@H]4[C@](C)(C(=O)[O-])CCC[C@]4(C)[C@@H]2CC[C@@H]1C3	ZINC000100780465	571833276	/nfs/dbraw/zinc/83/32/76/571833276.db2.gz	CZTZKVUEUYRGFD-CCEQCLNRSA-N	-1	0	300.442	4.816	1	30	endogenous,in-man	DJEFRM
C=C1C[C@@]23C=C[C@H]4[C@](C)(C(=O)[O-])CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3	ZINC000100780463	571833333	/nfs/dbraw/zinc/83/33/33/571833333.db2.gz	CZTZKVUEUYRGFD-SLBIIXIFSA-N	-1	0	300.442	4.816	1	30	endogenous,in-man	DJEFRM
COc1ccc(/C=C/C=C/C(=O)c2cc(Cl)ccc2[O-])cc1	ZINC000095586082	185381735	/nfs/dbraw/zinc/38/17/35/185381735.db2.gz	JJGXZIZHHMEVIX-ZUVMSYQZSA-N	-1	0	314.768	4.507	1	30		DJEFRM
CC[C@H](C)/C=C/[C@H]1C=CC(=O)[C@@H]1CCCCCCCC(=O)[O-]	ZINC000096941861	185393307	/nfs/dbraw/zinc/39/33/07/185393307.db2.gz	ZZZFQVVLXDQCSN-PMCDXHSFSA-N	-1	0	306.446	4.775	1	30		DJEFRM
CC1=CC(=O)C[C@@H]2[C@](C)(CC[C@@H](C)CC(=O)[O-])[C@H](C)CC[C@]12C	ZINC000043510907	183368704	/nfs/dbraw/zinc/36/87/04/183368704.db2.gz	RNWHJFUXZQBBLK-DUSFAAKNSA-N	-1	0	320.473	4.855	1	30		DJEFRM
C=C1CC[C@@H]2C(C)(C)C[C@@H](O)C[C@@]2(C)[C@H]1CC/C(C)=C/C(=O)[O-]	ZINC000014486287	560221774	/nfs/dbraw/zinc/22/17/74/560221774.db2.gz	PUWSLGIIKGDKAD-ATJHLMDKSA-N	-1	0	320.473	4.567	1	30	biogenic,in-vitro	DJEFRM
C=C[C@@]1(C)CC[C@@H]2[C@@](C)(CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]32C)O1	ZINC000015168690	571734140	/nfs/dbraw/zinc/73/41/40/571734140.db2.gz	POQLUTMXUBSNEN-AKPBFSNOSA-N	-1	0	320.473	4.808	1	30	endogenous,in-man	DJEFRM
CCc1sc(C(=O)[O-])c(-c2ccc(C(C)(C)C)cc2)c1C#N	ZINC000034892361	581094682	/nfs/dbraw/zinc/09/46/82/581094682.db2.gz	PTRJVLCUGFRMIG-UHFFFAOYSA-N	-1	0	313.422	4.845	1	30		DJEFRM
COc1ccc(/C=C/C(=O)c2c(C)c(Cl)c(C)cc2[O-])cc1	ZINC000096924162	185391644	/nfs/dbraw/zinc/39/16/44/185391644.db2.gz	SFXSSNGIORVKTE-RMKNXTFCSA-N	-1	0	316.784	4.567	1	30		DJEFRM
C/C(=C\C(=O)[O-])CC[C@H]1C(C)=CC(=O)[C@H]2C(C)(C)CCC[C@]12C	ZINC000084723508	192462153	/nfs/dbraw/zinc/46/21/53/192462153.db2.gz	BRQTUFLANBMESD-DFVZQIDDSA-N	-1	0	318.457	4.775	1	30		DJEFRM
C=C1CC[C@H]2[C@](C)(C(=O)[O-])CCC[C@]2(C)[C@H]1CC[C@H](C)CCO	ZINC000072319987	191120726	/nfs/dbraw/zinc/12/07/26/191120726.db2.gz	NSRKLZRKJJQJLD-TWRRNRRFSA-N	-1	0	322.489	4.649	1	30	biogenic,in-vitro	DJEFRM
CCCCCCCCC[S@](=O)CCCCCCCC(=O)[O-]	ZINC000100796881	193805073	/nfs/dbraw/zinc/80/50/73/193805073.db2.gz	DRADQNWZVRVWSM-OAQYLSRUSA-N	-1	0	318.523	4.911	1	30		DJEFRM
C=C[C@]1(C)CC[C@H]2[C@@](C)(CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]23C)O1	ZINC000040420738	183064234	/nfs/dbraw/zinc/06/42/34/183064234.db2.gz	POQLUTMXUBSNEN-BRGLROSXSA-N	-1	0	320.473	4.808	1	30		DJEFRM
C=C[C@@]1(C)CC[C@H]2[C@@](C)(CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@@]23C)O1	ZINC000015168694	571734679	/nfs/dbraw/zinc/73/46/79/571734679.db2.gz	POQLUTMXUBSNEN-GMIOVNAVSA-N	-1	0	320.473	4.808	1	30	endogenous,in-man	DJEFRM
C=C[C@@]1(C)CCC2=C(C1)C(=O)C[C@H]1[C@](C)(C(=O)[O-])CCC[C@@]21C	ZINC000043510296	571763857	/nfs/dbraw/zinc/76/38/57/571763857.db2.gz	MKABKMLRRKPPCP-BTHPGYMESA-N	-1	0	316.441	4.529	1	30	endogenous,in-man	DJEFRM
C=C1CC[C@@H]2[C@](C)(CCC[C@]2(C)C(=O)[O-])[C@H]1CC[C@H](C)CCO	ZINC000038927916	183012557	/nfs/dbraw/zinc/01/25/57/183012557.db2.gz	NSRKLZRKJJQJLD-BEUFEYIVSA-N	-1	0	322.489	4.649	1	30	biogenic,in-vitro	DJEFRM
CC1=C[C@@]2(CC#N)CC[C@@H]3[C@](C)(C(=O)[O-])CCC[C@@]3(C)[C@@H]2CC1	ZINC000045351986	183500041	/nfs/dbraw/zinc/50/00/41/183500041.db2.gz	AELJMIMYNXKCJP-UFHDJZAFSA-N	-1	0	315.457	4.934	1	30		DJEFRM
C=C[C@]1(C)CC[C@@H]2[C@@](C)(CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@]32C)O1	ZINC000015168688	571733991	/nfs/dbraw/zinc/73/39/91/571733991.db2.gz	POQLUTMXUBSNEN-WFDVMHAPSA-N	-1	0	320.473	4.808	1	30	endogenous,in-man	DJEFRM
CC(C)Sc1sc(C(=O)[O-])c(Oc2ccccc2)c1C#N	ZINC000169329770	197742647	/nfs/dbraw/zinc/74/26/47/197742647.db2.gz	SXTOGQMJBNLTJN-UHFFFAOYSA-N	-1	0	319.407	4.611	1	30		DJEFRM
C=C1CC[C@H]2[C@](C)(C(=O)[O-])CCC[C@]2(C)[C@H]1C[C@@H]1OCC=C1C	ZINC000034648813	290935426	/nfs/dbraw/zinc/93/54/26/290935426.db2.gz	FOFOBMPUEROEKT-OCBLOMHFSA-N	-1	0	318.457	4.585	1	30	biogenic,in-vitro	DJEFRM
CCCCCCCCC[S@@](=O)CCCCCCCC(=O)[O-]	ZINC000044118168	183394880	/nfs/dbraw/zinc/39/48/80/183394880.db2.gz	DRADQNWZVRVWSM-NRFANRHFSA-N	-1	0	318.523	4.911	1	30		DJEFRM
C=CC(C)(C)c1c2oc(C(=C)C)cc2c([O-])c2ccc(=O)oc21	ZINC000014441486	560221500	/nfs/dbraw/zinc/22/15/00/560221500.db2.gz	QSKJUCLGRZIBCC-UHFFFAOYSA-N	-1	0	310.349	4.742	1	30	biogenic,in-vitro	DJEFRM
C=C[C@]1(C)CCC2=C(C1)C(=O)C[C@H]1[C@](C)(C(=O)[O-])CCC[C@@]21C	ZINC000100781091	571834627	/nfs/dbraw/zinc/83/46/27/571834627.db2.gz	MKABKMLRRKPPCP-RSPOEFSDSA-N	-1	0	316.441	4.529	1	30	endogenous,in-man	DJEFRM
C=C1C[C@H]2[C@@H]1CC=C1[C@@H]2CC[C@@H]2[C@](C)(C(=O)[O-])CCC[C@@]12C	ZINC000095486107	290935417	/nfs/dbraw/zinc/93/54/17/290935417.db2.gz	JAYSLIUPIQCTML-CFZAHQCGSA-N	-1	0	300.442	4.816	1	30	biogenic,in-vitro	DJEFRM
C=CCCCC[C@@H](C)CCC/C=C\C#CCC[C@H](OC)C(=O)[O-]	ZINC000040916429	183148259	/nfs/dbraw/zinc/14/82/59/183148259.db2.gz	KHBWVVURFCWYNT-YMHTTXFNSA-N	-1	0	320.473	4.979	1	30		DJEFRM
C=C1CC[C@H]2[C@](C)(O)[C@H](C)CC[C@]2(C)[C@H]1CC/C(C)=C/C(=O)[O-]	ZINC000066124278	184391577	/nfs/dbraw/zinc/39/15/77/184391577.db2.gz	KKSRPYFDSRXBHV-PIGWEYSDSA-N	-1	0	320.473	4.567	1	30		DJEFRM
C=C[C@]1(C)CC[C@H]2[C@@](C)(CC[C@H]3[C@](C)(C(=O)[O-])CCC[C@@]23C)O1	ZINC000015168692	571734777	/nfs/dbraw/zinc/73/47/77/571734777.db2.gz	POQLUTMXUBSNEN-ABWGISGVSA-N	-1	0	320.473	4.808	1	30	endogenous,in-man	DJEFRM
C=C[C@@]1(C)CCC2=C(C1)C(=O)C[C@@H]1[C@](C)(C(=O)[O-])CCC[C@@]21C	ZINC000043510299	571763918	/nfs/dbraw/zinc/76/39/18/571763918.db2.gz	MKABKMLRRKPPCP-FRYIKTPZSA-N	-1	0	316.441	4.529	1	30	endogenous,in-man	DJEFRM
Nc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3)cc2)c([O-])c1	ZINC000096914965	185391260	/nfs/dbraw/zinc/39/12/60/185391260.db2.gz	CGQHWAVCZWWOEN-MDWZMJQESA-N	-1	0	315.372	4.538	1	30		DJEFRM
O=C[C@@H](CCCCCCC/C=C/CCC(=O)[O-])[C@@H]1C=CCC1	ZINC000085489302	290938565	/nfs/dbraw/zinc/93/85/65/290938565.db2.gz	OFGSXASZSOQTLN-JORFTBQQSA-N	-1	0	306.446	4.919	1	30	biogenic,in-vitro	DJEFRM
C=C1CC[C@@H]2[C@@](C)(CO)CCC[C@@]2(C)[C@H]1CC[C@H](C)CC(=O)[O-]	ZINC000095912113	560057575	/nfs/dbraw/zinc/05/75/75/560057575.db2.gz	KPFWQGCQQPFNRP-BEUFEYIVSA-N	-1	0	322.489	4.649	1	30	biogenic,in-vitro	DJEFRM
[O-]/N=C(\CSc1ccccc1)c1cccc(C(F)(F)F)c1	ZINC000095576505	185380733	/nfs/dbraw/zinc/38/07/33/185380733.db2.gz	UTOKICRUBICBJB-XMHGGMMESA-N	-1	0	311.328	4.676	1	30		DJEFRM
C=C1C[C@]2(CC[C@H]3C(C)=CCC[C@@]3(C)C(=O)[O-])C[C@H]1CCC2=O	ZINC000014620207	290935424	/nfs/dbraw/zinc/93/54/24/290935424.db2.gz	ZUYXVRQAXIJXPF-WOUAJJJCSA-N	-1	0	316.441	4.529	1	30	biogenic	DJEFRM
Cc1coc2c1c(O)c1c(c2[O-])[C@@]2(C)CCC(C)=C(C)C2=CC1=O	ZINC000013309465	290937131	/nfs/dbraw/zinc/93/71/31/290937131.db2.gz	VGDAVGPDHBMHBW-FQEVSTJZSA-N	-1	0	324.376	4.663	1	30	biogenic,in-vitro	DJEFRM
C=C[C@@](C)(O)CC[C@H]1C(=C)CC[C@H]2[C@](C)(C(=O)[O-])CCC[C@@]21C	ZINC000031158654	519298436	/nfs/dbraw/zinc/29/84/36/519298436.db2.gz	LMODNMXJBXUOQF-APQLOABGSA-N	-1	0	320.473	4.567	1	30		DJEFRM