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@H](c1c([O-])c(C=O)c(O)c(C=O)c1[O-])[C@@H]1CC[C@@](C)(O)[C@@H]2C[C@H](C(C)(C)O)CC[C@]21C	ZINC000031494944	556397952	/nfs/dbraw/zinc/39/79/52/556397952.db2.gz	PXQFFMATXFLUPK-CHKSIUCGSA-N	-2	1	490.637	4.913	10	0	endogenous,in-man	JJAEML
Cc1ccc(C(=O)Nc2ccc(Br)cc2)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000001508334	194126545	/nfs/dbraw/zinc/12/65/45/194126545.db2.gz	JERUPFMDPNGDMA-UHFFFAOYSA-N	-2	1	489.347	4.509	10	0		JJAEML
CC(C)C[C@H](c1c([O-])c(C=O)c(O)c(C=O)c1[O-])[C@@H]1CC[C@](C)(O)[C@@H]2C[C@@H](C(C)(C)O)CC[C@]21C	ZINC000031494948	574414037	/nfs/dbraw/zinc/41/40/37/574414037.db2.gz	PXQFFMATXFLUPK-LBAZGXEWSA-N	-2	1	490.637	4.913	10	0	endogenous,in-man	JJAEML
CC(C)C[C@@H](c1c([O-])c(C=O)c(O)c(C=O)c1[O-])[C@@H]1CC[C@@](C)(O)[C@@H]2C[C@H](C(C)(C)O)CC[C@]21C	ZINC000031494946	556397908	/nfs/dbraw/zinc/39/79/08/556397908.db2.gz	PXQFFMATXFLUPK-WFKARHRNSA-N	-2	1	490.637	4.913	10	0	endogenous,in-man	JJAEML
CC(C)C[C@H](c1c([O-])c(C=O)c(O)c(C=O)c1[O-])[C@@H]1CC[C@](C)(O)[C@@H]2C[C@H](C(C)(C)O)CC[C@]21C	ZINC000039036685	574414446	/nfs/dbraw/zinc/41/44/46/574414446.db2.gz	PXQFFMATXFLUPK-PFKLTMNMSA-N	-2	1	490.637	4.913	10	0	endogenous,in-man	JJAEML