smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC/C=C/C[C@H]1C(=O)C=C[C@H]1CCCCCCCC(=O)[O-]	ZINC000001532896	333019953	/nfs/dbraw/zinc/01/99/53/333019953.db2.gz	PMTMAFAPLCGXGK-SULOOQPXSA-N	-1	0	292.419	4.529	1	30	in-vivo	CJEFRM
C=C(C)c1ccc2c(c1)CC[C@H]1[C@](C)(C(=O)[O-])CCC[C@]21C	ZINC000013301998	290877416	/nfs/dbraw/zinc/87/74/16/290877416.db2.gz	NGBRPGLXCQJIPU-MISYRCLQSA-N	-1	0	298.426	4.815	1	30	biogenic,in-vitro	CJEFRM
C=C(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(C(=O)[O-])CCC[C@]21C	ZINC000014410467	560221150	/nfs/dbraw/zinc/22/11/50/560221150.db2.gz	NGBRPGLXCQJIPU-RLLQIKCJSA-N	-1	0	298.426	4.815	1	30	biogenic,in-vitro	CJEFRM
C/C=C/C=C/C#C/C=C\CCCCCCCCC(=O)[O-]	ZINC000014616319	170639449	/nfs/dbraw/zinc/63/94/49/170639449.db2.gz	KDVOULUCGQGVQH-IUDSIRJBSA-N	-1	0	274.404	4.884	1	30	endogenous,in-man	CJEFRM
C=CCCC#CCCCCCCCCCCC(=O)[O-]	ZINC000015270225	560229954	/nfs/dbraw/zinc/22/99/54/560229954.db2.gz	PZTFGAULNIGNTB-UHFFFAOYSA-N	-1	0	264.409	4.942	1	30	biogenic,in-vitro	CJEFRM
COc1ccc(N=C(C)c2sc3ccccc3c2[O-])cc1	ZINC000020237247	171096555	/nfs/dbraw/zinc/09/65/55/171096555.db2.gz	JQNSVUIKOBFNPM-WOJGMQOQSA-N	-1	0	297.379	4.756	1	30		CJEFRM
CCCCCCCCCCCCCC(=O)CC(=O)[O-]	ZINC000032838982	574414067	/nfs/dbraw/zinc/41/40/67/574414067.db2.gz	ASICPMTWQSESKX-UHFFFAOYSA-N	-1	0	270.413	4.731	1	30	endogenous,in-man	CJEFRM
CCCCCCCCC#CC#C/C=C/CCCC(=O)[O-]	ZINC000038139635	174133771	/nfs/dbraw/zinc/13/37/71/174133771.db2.gz	IGVKWAAPMVVTFX-BUHFOSPRSA-N	-1	0	274.404	4.555	1	30	in-vivo	CJEFRM
N#Cc1c2c3ccccc3[nH]c2c2[nH]c3ccccc3c2c1[O-]	ZINC000038439921	174141783	/nfs/dbraw/zinc/14/17/83/174141783.db2.gz	NHCFCDOPDLTBAY-UHFFFAOYSA-N	-1	0	297.317	4.533	1	30		CJEFRM
CCCCC/C=C\C#CC#CCCCCCCC(=O)[O-]	ZINC000038601393	560085999	/nfs/dbraw/zinc/08/59/99/560085999.db2.gz	RJGPWUHEMVYSDA-SREVYHEPSA-N	-1	0	274.404	4.555	1	30	biogenic,in-vitro	CJEFRM
Cc1ccc(/C=C/C(=O)c2cc(Cl)ccc2[O-])c(C)c1	ZINC000039024173	174161844	/nfs/dbraw/zinc/16/18/44/174161844.db2.gz	SZJSECXUIKKWES-FNORWQNLSA-N	-1	0	286.758	4.559	1	30		CJEFRM
CCCCC/C=C\CC#CC#CCCCCCC(=O)[O-]	ZINC000040835689	174418701	/nfs/dbraw/zinc/41/87/01/174418701.db2.gz	WMAMGZISNJIRAE-SREVYHEPSA-N	-1	0	274.404	4.555	1	30		CJEFRM
CCCCCCC[C@H](O)CCCCCCCC(=O)[O-]	ZINC000059200967	290879186	/nfs/dbraw/zinc/87/91/86/290879186.db2.gz	LMLPQXIASCHLIF-HNNXBMFYSA-N	-1	0	272.429	4.523	1	30	biogenic,in-vitro	CJEFRM
CCCCCCCCC[C@@H](O)CCCCCC(=O)[O-]	ZINC000059200976	520029086	/nfs/dbraw/zinc/02/90/86/520029086.db2.gz	PHFQJBDKBCFMOS-OAHLLOKOSA-N	-1	0	272.429	4.523	1	30		CJEFRM
CCCCCCCCCCC#CCCCC(=O)[O-]	ZINC000059424639	519979592	/nfs/dbraw/zinc/97/95/92/519979592.db2.gz	XDPHRZGPXHHHCG-UHFFFAOYSA-N	-1	0	252.398	4.776	1	30		CJEFRM
CCCCCCCCCC#CCCCCC(=O)[O-]	ZINC000064235771	519975697	/nfs/dbraw/zinc/97/56/97/519975697.db2.gz	OMEMMZJIJNUXIH-UHFFFAOYSA-N	-1	0	252.398	4.776	1	30		CJEFRM
CCCCCCCC(=O)CCCCCCCC(=O)[O-]	ZINC000079244776	571781030	/nfs/dbraw/zinc/78/10/30/571781030.db2.gz	KHCDPAZLBSPVSE-UHFFFAOYSA-N	-1	0	270.413	4.731	1	30	endogenous,in-man	CJEFRM
CCCCCCCCCCCCCC[C@@H](CO)C(=O)[O-]	ZINC000085493057	560075000	/nfs/dbraw/zinc/07/50/00/560075000.db2.gz	LHNZBWNSEHCHKL-INIZCTEOSA-N	-1	0	286.456	4.771	1	30	biogenic,in-vitro	CJEFRM
CCCCCC/C=C\CCCCCC[C@H](C(=O)[O-])[C@H](C)O	ZINC000085506087	290878785	/nfs/dbraw/zinc/87/87/85/290878785.db2.gz	BFUMPEXKDURSCP-JIPXFFRKSA-N	-1	0	298.467	4.935	1	30	biogenic,in-vitro	CJEFRM
CCCCCCCCCCC[C@H](/C=C/C(=O)[O-])CCCO	ZINC000085510660	290879162	/nfs/dbraw/zinc/87/91/62/290879162.db2.gz	VHPQTAYDLZWTOV-ZWKQNVPVSA-N	-1	0	298.467	4.937	1	30	biogenic,in-vitro	CJEFRM
CCCCCCCCCCCCCCC(=O)C(=O)[O-]	ZINC000085627225	560069040	/nfs/dbraw/zinc/06/90/40/560069040.db2.gz	ZVNHILZUTNYFGT-UHFFFAOYSA-N	-1	0	270.413	4.731	1	30	biogenic,in-vitro	CJEFRM
CCCCCCCCC(=O)CCCCCCC(=O)[O-]	ZINC000086037089	571794225	/nfs/dbraw/zinc/79/42/25/571794225.db2.gz	SEWAOKNHYLYQEL-UHFFFAOYSA-N	-1	0	270.413	4.731	1	30	endogenous,in-man	CJEFRM
CCCCCCCCCCCCC(=O)/C=C/C(=O)[O-]	ZINC000086037103	179221270	/nfs/dbraw/zinc/22/12/70/179221270.db2.gz	SWMQZEIJDYTILH-BUHFOSPRSA-N	-1	0	268.397	4.507	1	30		CJEFRM
CCCC/C=C/C#CC#C[C@@H](C)CCCCCCC(=O)[O-]	ZINC000095561953	185009725	/nfs/dbraw/zinc/00/97/25/185009725.db2.gz	HOXVCXVUBSATQD-IPLHWJFFSA-N	-1	0	288.431	4.801	1	30		CJEFRM
CCCC/C=C/C#CC#C[C@H](C)CCCCCCC(=O)[O-]	ZINC000095561954	185008802	/nfs/dbraw/zinc/00/88/02/185008802.db2.gz	HOXVCXVUBSATQD-DKFQHHCZSA-N	-1	0	288.431	4.801	1	30		CJEFRM
CC(C)(C)SC/C(=N\[O-])c1cc(Cl)sc1Cl	ZINC000095578013	185011315	/nfs/dbraw/zinc/01/13/15/185011315.db2.gz	XKPGRUXFBLQXJH-NTUHNPAUSA-N	-1	0	298.260	4.765	1	30		CJEFRM
CCCCCCCC#CC#CCCCCCCC(=O)[O-]	ZINC000095913974	560056097	/nfs/dbraw/zinc/05/60/97/560056097.db2.gz	JRBUVHZXBJFVBZ-UHFFFAOYSA-N	-1	0	276.420	4.779	1	30	biogenic,in-vitro	CJEFRM
Cc1cc([O-])c(C(=O)/C=C/c2ccccc2)c(C)c1Cl	ZINC000096924161	185130620	/nfs/dbraw/zinc/13/06/20/185130620.db2.gz	ZRMVRTYYOBBBIX-CMDGGOBGSA-N	-1	0	286.758	4.559	1	30		CJEFRM