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)CC(=O)C1=C([O-])[C@](O)(C(=O)C[C@@H]2OC2(C)C)[C@@H](C[C@@H](O)C(C)(C)O)C1=O	ZINC000015104253	574413762	/nfs/dbraw/zinc/41/37/62/574413762.db2.gz	ZBRPCUWVJNPMIY-PPCJFCATSA-N	-1	2	412.479	1.002	1	30	endogenous,in-man	HDEFLM
CC(C)CC(=O)C1=C([O-])[C@H](C[C@@H](O)C(C)(C)O)[C@@](O)(C(=O)C[C@@H]2OC2(C)C)C1=O	ZINC000015104253	574413763	/nfs/dbraw/zinc/41/37/63/574413763.db2.gz	ZBRPCUWVJNPMIY-PPCJFCATSA-N	-1	2	412.479	1.002	1	30	endogenous,in-man	HDEFLM
CC(C)CC([O-])=C1C(=O)[C@H](C[C@@H](O)C(C)(C)O)[C@@](O)(C(=O)C[C@@H]2OC2(C)C)C1=O	ZINC000015104253	574413764	/nfs/dbraw/zinc/41/37/64/574413764.db2.gz	ZBRPCUWVJNPMIY-PPCJFCATSA-N	-1	2	412.479	1.002	1	30	endogenous,in-man	HDEFLM
CC(C)CC(=O)C1=C([O-])[C@](O)(C(=O)C[C@@H]2OC2(C)C)[C@H](C[C@@H](O)C(C)(C)O)C1=O	ZINC000100772730	574418574	/nfs/dbraw/zinc/41/85/74/574418574.db2.gz	ZBRPCUWVJNPMIY-NCSQUDOFSA-N	-1	2	412.479	1.002	1	30	endogenous,in-man	HDEFLM
CC(C)CC(=O)C1=C([O-])[C@@H](C[C@@H](O)C(C)(C)O)[C@@](O)(C(=O)C[C@@H]2OC2(C)C)C1=O	ZINC000100772730	574418575	/nfs/dbraw/zinc/41/85/75/574418575.db2.gz	ZBRPCUWVJNPMIY-NCSQUDOFSA-N	-1	2	412.479	1.002	1	30	endogenous,in-man	HDEFLM
CC(C)CC([O-])=C1C(=O)[C@@H](C[C@@H](O)C(C)(C)O)[C@@](O)(C(=O)C[C@@H]2OC2(C)C)C1=O	ZINC000100772730	574418576	/nfs/dbraw/zinc/41/85/76/574418576.db2.gz	ZBRPCUWVJNPMIY-NCSQUDOFSA-N	-1	2	412.479	1.002	1	30	endogenous,in-man	HDEFLM
COC1=C(C)C(=O)c2c(O)c(CSC[C@H](NC(C)=O)C(=O)[O-])c(O)cc2C1=O	ZINC000015215943	560229443	/nfs/dbraw/zinc/22/94/43/560229443.db2.gz	UJIIOEFFGQEVBT-NSHDSACASA-N	-1	2	409.416	1.220	1	30	in-vitro	HDEFLM
CO[C@@H]1C([O-])=C(C(C)=O)C(=O)[C@@]2(O)C(=O)c3c(cc4cc(O)cc(O)c4c3O)C[C@@H]12	ZINC000005855034	560203714	/nfs/dbraw/zinc/20/37/14/560203714.db2.gz	YGEWGLOEJMBKRL-NKTYFGPESA-N	-1	2	414.366	1.042	1	30	in-vitro	HDEFLM
CO[C@@H]1C(=O)C(C(C)=O)=C([O-])[C@@]2(O)C(=O)c3c(cc4cc(O)cc(O)c4c3O)C[C@@H]12	ZINC000005855034	560203715	/nfs/dbraw/zinc/20/37/15/560203715.db2.gz	YGEWGLOEJMBKRL-NKTYFGPESA-N	-1	2	414.366	1.042	1	30	in-vitro	HDEFLM
CO[C@@H]1C(=O)C(=C(C)[O-])C(=O)[C@@]2(O)C(=O)c3c(cc4cc(O)cc(O)c4c3O)C[C@@H]12	ZINC000005855034	560203716	/nfs/dbraw/zinc/20/37/16/560203716.db2.gz	YGEWGLOEJMBKRL-NKTYFGPESA-N	-1	2	414.366	1.042	1	30	in-vitro	HDEFLM
CC(C)CC(=O)C1=C([O-])[C@@](O)(C(=O)C[C@@H]2OC2(C)C)[C@@H](C[C@@H](O)C(C)(C)O)C1=O	ZINC000015104251	574413755	/nfs/dbraw/zinc/41/37/55/574413755.db2.gz	ZBRPCUWVJNPMIY-XXLGZCRASA-N	-1	2	412.479	1.002	1	30	endogenous,in-man	HDEFLM
CC(C)CC(=O)C1=C([O-])[C@H](C[C@@H](O)C(C)(C)O)[C@](O)(C(=O)C[C@@H]2OC2(C)C)C1=O	ZINC000015104251	574413756	/nfs/dbraw/zinc/41/37/56/574413756.db2.gz	ZBRPCUWVJNPMIY-XXLGZCRASA-N	-1	2	412.479	1.002	1	30	endogenous,in-man	HDEFLM
CC(C)CC([O-])=C1C(=O)[C@H](C[C@@H](O)C(C)(C)O)[C@](O)(C(=O)C[C@@H]2OC2(C)C)C1=O	ZINC000015104251	574413757	/nfs/dbraw/zinc/41/37/57/574413757.db2.gz	ZBRPCUWVJNPMIY-XXLGZCRASA-N	-1	2	412.479	1.002	1	30	endogenous,in-man	HDEFLM
CC(C)CC(=O)C1=C([O-])[C@@](O)(C(=O)C[C@@H]2OC2(C)C)[C@H](C[C@@H](O)C(C)(C)O)C1=O	ZINC000100772731	574418565	/nfs/dbraw/zinc/41/85/65/574418565.db2.gz	ZBRPCUWVJNPMIY-VBYPKRBJSA-N	-1	2	412.479	1.002	1	30	endogenous,in-man	HDEFLM
CC(C)CC(=O)C1=C([O-])[C@@H](C[C@@H](O)C(C)(C)O)[C@](O)(C(=O)C[C@@H]2OC2(C)C)C1=O	ZINC000100772731	574418566	/nfs/dbraw/zinc/41/85/66/574418566.db2.gz	ZBRPCUWVJNPMIY-VBYPKRBJSA-N	-1	2	412.479	1.002	1	30	endogenous,in-man	HDEFLM
CC(C)CC([O-])=C1C(=O)[C@@H](C[C@@H](O)C(C)(C)O)[C@](O)(C(=O)C[C@@H]2OC2(C)C)C1=O	ZINC000100772731	574418567	/nfs/dbraw/zinc/41/85/67/574418567.db2.gz	ZBRPCUWVJNPMIY-VBYPKRBJSA-N	-1	2	412.479	1.002	1	30	endogenous,in-man	HDEFLM