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)=CCCC1=CC[C@H]2C(=O)c3c(C=O)c(O)c(O)c(C(C)C)c3C(=O)[C@@]2(C)C1	ZINC000005761537	571689494	/nfs/dbraw/zinc/68/94/94/571689494.db2.gz	YCZAHJSVHOSXPX-GKVSMKOHSA-N	0	2	410.510	5.502	1	10	endogenous,in-man	HKCFLN
CC(C)=CCc1cc(-c2coc3cc(O)cc(=O)c-3c2O)c(CC=C(C)C)c(O)c1O	ZINC000014727600	291287031	/nfs/dbraw/zinc/28/70/31/291287031.db2.gz	RWGZXUWGOARVDQ-UHFFFAOYSA-N	0	2	422.477	5.300	1	10	biogenic,in-vitro	HKCFLN
CC(C)=CCc1cc(-c2coc3c(CC=C(C)C)c(O)cc(=O)c-3c2O)cc(O)c1O	ZINC000014727603	571722744	/nfs/dbraw/zinc/72/27/44/571722744.db2.gz	DPLWUTYEBRKBLI-UHFFFAOYSA-N	0	2	422.477	5.300	1	10	endogenous,in-man	HKCFLN
CC(C)=CCC/C(C)=C/Cc1c(O)c(O)cc(-c2coc3cc(O)ccc3c2=O)c1O	ZINC000015120655	291283887	/nfs/dbraw/zinc/28/38/87/291283887.db2.gz	JVYKYLOUVXNIMK-VIZOYTHASA-N	0	2	422.477	5.518	1	10	biogenic,in-vitro	HKCFLN
CC(C)=CC[C@H]1C(C)=CC[C@@]2(C)C(=O)c3c(c(C=O)c(O)c(O)c3C(C)C)C(=O)[C@@H]12	ZINC000015268424	560229977	/nfs/dbraw/zinc/22/99/77/560229977.db2.gz	FMJIKKXSIVRJGO-YSANICFGSA-N	0	2	410.510	5.358	1	10	in-vitro,metabolite	HKCFLN
CC(C)=CCCC1=CC[C@H]2C(=O)c3c(C=O)c(O)c(O)c(C(C)C)c3C(=O)[C@]2(C)C1	ZINC000015268461	571739242	/nfs/dbraw/zinc/73/92/42/571739242.db2.gz	YCZAHJSVHOSXPX-SSOJOUAXSA-N	0	2	410.510	5.502	1	10	endogenous,in-man	HKCFLN
CC(C)=CCCC1=CC[C@@H]2C(=O)c3c(C=O)c(O)c(O)c(C(C)C)c3C(=O)[C@]2(C)C1	ZINC000015268463	571739114	/nfs/dbraw/zinc/73/91/14/571739114.db2.gz	YCZAHJSVHOSXPX-CRICUBBOSA-N	0	2	410.510	5.502	1	10	endogenous,in-man	HKCFLN
CC(C)=CCCC1=CC[C@@H]2C(=O)c3c(C=O)c(O)c(O)c(C(C)C)c3C(=O)[C@@]2(C)C1	ZINC000015268465	571738946	/nfs/dbraw/zinc/73/89/46/571738946.db2.gz	YCZAHJSVHOSXPX-NSYGIPOTSA-N	0	2	410.510	5.502	1	10	endogenous,in-man	HKCFLN