smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2ccccc2C(=O)c2c(O)c([O-])c([S@](=O)[O-])cc21	ZINC000016157436	406882245	/nfs/dbraw/zinc/88/22/45/406882245.db2.gz	AGQQTCCUARWLRT-UHFFFAOYSA-N	-2	1	304.279	1.454	50	10		DDCAML
COc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)cn1	ZINC000390834614	354642694	/nfs/dbraw/zinc/64/26/94/354642694.db2.gz	IHLOFABELVAXIM-UHFFFAOYSA-N	-2	1	322.342	1.799	50	10		DDCAML
O=C1C=C([O-])C([O-])=C2OC(c3ccc(O)c(O)c3)C(=O)C(O)=C12	ZINC000006525297	406740041	/nfs/dbraw/zinc/74/00/41/406740041.db2.gz	YRRAGUMVDQQZIY-UHFFFAOYSA-N	-2	1	318.237	1.694	50	10	biogenic,in-vivo	DDCAML
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1nnn[n-]1	ZINC000100501393	407307993	/nfs/dbraw/zinc/30/79/93/407307993.db2.gz	YUTHPEZRLPCWGF-POHAHGRESA-N	-2	1	303.713	1.572	50	10		DDCAML
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1nnn[n-]1	ZINC000100922785	407308910	/nfs/dbraw/zinc/30/89/10/407308910.db2.gz	AWWHPGGQVUYBMK-POHAHGRESA-N	-2	1	303.713	1.572	50	10		DDCAML
O=C([O-])COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)NC1=O	ZINC000020149459	182192628	/nfs/dbraw/zinc/19/26/28/182192628.db2.gz	ZRFMAURNNKXGST-UHFFFAOYSA-N	-2	1	324.676	1.393	50	10		DDCAML
O=C([O-])COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)NC1=O	ZINC000020149459	182192629	/nfs/dbraw/zinc/19/26/29/182192629.db2.gz	ZRFMAURNNKXGST-UHFFFAOYSA-N	-2	1	324.676	1.393	50	10		DDCAML
O=C([O-])c1cccc(-c2ccc(C=C3NC(=S)[N-]C3=O)o2)c1	ZINC000004641441	181131731	/nfs/dbraw/zinc/13/17/31/181131731.db2.gz	LTMSPBMJBBAVBQ-YRNVUSSQSA-N	-2	1	314.322	1.990	50	10		DDCAML