smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([C@H]2Oc3cc(-c4cc(=O)c5c([O-])cc([O-])cc5o4)cc(OC)c3O[C@@H]2CO)ccc1O	ZINC000004099010	562932293	/nfs/dbraw/zinc/93/22/93/562932293.db2.gz	NIOAGUZTTGFPGK-ILBGXUMGSA-N	-2	3	494.452	3.467	10	0	biogenic,in-vitro	JGAEHL
CC(C)[C@@H](C(=O)[O-])N(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C(=O)CC[C@H](C)O	ZINC000022061296	555867900	/nfs/dbraw/zinc/86/79/00/555867900.db2.gz	ICSQZMPILLPFKC-AOMKIAJQSA-N	-2	3	451.527	3.133	10	0	endogenous,world	JGAEHL
CC(C)[C@@H](C(=O)[O-])N(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(=O)CC[C@H](C)O	ZINC000022061296	555867903	/nfs/dbraw/zinc/86/79/03/555867903.db2.gz	ICSQZMPILLPFKC-AOMKIAJQSA-N	-2	3	451.527	3.133	10	0	endogenous,world	JGAEHL
CC(C)[C@@H](NS(=O)(=O)c1ccc2oc3cc([N-]S(=O)(=O)C(C)C)ccc3c2c1)C(=O)[O-]	ZINC000040914527	563155219	/nfs/dbraw/zinc/15/52/19/563155219.db2.gz	SMWVRODLVRVTBW-LJQANCHMSA-N	-2	3	468.553	3.124	10	0		JGAEHL
COc1ccc(S(=O)(=O)[N-]c2ccc(N(C)CCc3c(C)noc3C)c(C(=O)[O-])c2)cc1OC	ZINC000021883423	525082506	/nfs/dbraw/zinc/08/25/06/525082506.db2.gz	CHTYXRLGNFRTPJ-UHFFFAOYSA-N	-2	3	489.550	3.487	10	0		JGAEHL
CC(C)[C@@H](C(=O)[O-])N(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C(=O)CC[C@@H](C)O	ZINC000022061293	555867952	/nfs/dbraw/zinc/86/79/52/555867952.db2.gz	ICSQZMPILLPFKC-ZHRRBRCNSA-N	-2	3	451.527	3.133	10	0	endogenous,world	JGAEHL
CC(C)[C@@H](C(=O)[O-])N(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(=O)CC[C@@H](C)O	ZINC000022061293	555867954	/nfs/dbraw/zinc/86/79/54/555867954.db2.gz	ICSQZMPILLPFKC-ZHRRBRCNSA-N	-2	3	451.527	3.133	10	0	endogenous,world	JGAEHL
CCCc1cc(=O)[n-]c(SCC(=O)Nc2nonc2[N-]C(=O)c2ccc(Cl)cc2Cl)n1	ZINC000020595824	555839037	/nfs/dbraw/zinc/83/90/37/555839037.db2.gz	JHWTZHXVXGWTCX-UHFFFAOYSA-N	-2	3	483.337	3.395	10	0		JGAEHL