smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(/N=C/c2ccccc2[O-])c([S-])c1	ZINC000020841062	171275704	/nfs/dbraw/zinc/27/57/04/171275704.db2.gz	HSMOUZZQIBOUJH-MHWRWJLKSA-N	-2	3	273.357	3.830	50	30		CHEAHL
O=C(/C=C/c1ccccc1[O-])c1cc(Cl)ccc1[O-]	ZINC000039023373	174161908	/nfs/dbraw/zinc/16/19/08/174161908.db2.gz	OZKSXJSJFXQLSC-FNORWQNLSA-N	-2	3	274.703	3.647	50	30		CHEAHL
O=C([O-])c1ccc(N=Cc2c([O-])ccc3ccccc32)cc1	ZINC000252463714	567053554	/nfs/dbraw/zinc/05/35/54/567053554.db2.gz	VZEJBHQYZBEMMM-UHFFFAOYSA-N	-2	3	291.306	3.994	50	30		CHEAHL
O=P([O-])([O-])CCCCCCCCCCCS	ZINC000095100012	567909126	/nfs/dbraw/zinc/90/91/26/567909126.db2.gz	VXLGFBKKMPMGST-UHFFFAOYSA-N	-2	3	268.359	3.605	50	30		CHEAHL
O=C([O-])c1ccccc1/N=C/c1c([O-])ccc2ccccc21	ZINC000004738063	170008226	/nfs/dbraw/zinc/00/82/26/170008226.db2.gz	QDRLBGYTPRZOPP-YBFXNURJSA-N	-2	3	291.306	3.994	50	30		CHEAHL
O=P([O-])([O-])CCCCCCCCCCCCS	ZINC000039337622	570234874	/nfs/dbraw/zinc/23/48/74/570234874.db2.gz	PVIUMTORLYKRJT-UHFFFAOYSA-N	-2	3	282.386	3.995	50	30		CHEAHL
C=CCn1c(=S)[n-]nc1-c1cc2ccccc2cc1[O-]	ZINC000005685798	170128844	/nfs/dbraw/zinc/12/88/44/170128844.db2.gz	HIPWOSXSDRYMFG-UHFFFAOYSA-N	-2	3	283.356	3.652	50	30		CHEAHL
O=C([O-])CC/C(=N\[O-])c1ccc2oc3ccccc3c2c1	ZINC000003874285	567854367	/nfs/dbraw/zinc/85/43/67/567854367.db2.gz	ODQJWIMYDRXPBG-GHRIWEEISA-N	-2	3	283.283	3.629	50	30		CHEAHL
O=C([O-])c1ccc(/N=C/c2cc3ccccc3cc2[O-])cc1	ZINC000004738069	170008464	/nfs/dbraw/zinc/00/84/64/170008464.db2.gz	PPKSEPFUOHVNMS-YBFXNURJSA-N	-2	3	291.306	3.994	50	30		CHEAHL
CCOc1ccc(/C=N/c2cc(Cl)ccc2[O-])c([O-])c1	ZINC000000226946	169580166	/nfs/dbraw/zinc/58/01/66/169580166.db2.gz	AWVWENDHOHMHBL-RQZCQDPDSA-N	-2	3	291.734	3.901	50	30		CHEAHL
O=C([O-])c1cccc(/N=C/c2c([O-])ccc3ccccc32)c1	ZINC000002164000	566912223	/nfs/dbraw/zinc/91/22/23/566912223.db2.gz	ZKQQOEKFXGIIRV-YBFXNURJSA-N	-2	3	291.306	3.994	50	30		CHEAHL
O=C([O-])c1ccc(/N=C/c2c([O-])ccc3ccccc32)cc1	ZINC000004774958	566986287	/nfs/dbraw/zinc/98/62/87/566986287.db2.gz	VZEJBHQYZBEMMM-YBFXNURJSA-N	-2	3	291.306	3.994	50	30		CHEAHL
O=C1c2cccc3c2C(C([O-])=CC3)C([O-])=C1c1ccccc1	ZINC000101492359	185741783	/nfs/dbraw/zinc/74/17/83/185741783.db2.gz	MJLYQDKIWCSHFK-UHFFFAOYSA-N	-2	3	290.318	3.911	50	30		CHEAHL