smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@@H](c1cc(I)ccc1[O-])C(F)(F)F	ZINC000072196094	295295609	/nfs/dbraw/zinc/29/56/09/295295609.db2.gz	WREKKGBPPSHXSP-ZETCQYMHSA-N	-1	3	317.048	2.559	10	10		DFCEHM
N[C@H](CF)c1c([O-])c(Br)ccc1Br	ZINC000306660278	398509415	/nfs/dbraw/zinc/50/94/15/398509415.db2.gz	QDEZHVGVMGLPLB-ZCFIWIBFSA-N	-1	3	312.964	2.887	10	10		DFCEHM
COc1ccc2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1[O-]	ZINC000013586384	425756150	/nfs/dbraw/zinc/75/61/50/425756150.db2.gz	JODHJCLRVCCKFQ-UHFFFAOYSA-N	-1	3	300.266	2.585	10	10		DFCEHM
Cc1c([O-])c(C)c2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2	ZINC000003784909	181045947	/nfs/dbraw/zinc/04/59/47/181045947.db2.gz	AESMRHCYHARBLU-ZDUSSCGKSA-N	-1	3	316.309	2.832	10	10	investigational	DFCEHM
N[C@@H](CF)c1c([O-])cc(Br)cc1Br	ZINC000238572094	398378176	/nfs/dbraw/zinc/37/81/76/398378176.db2.gz	WGMSWQWZULDYLW-LURJTMIESA-N	-1	3	312.964	2.887	10	10		DFCEHM
N[C@H](c1cc(I)ccc1[O-])C(F)(F)F	ZINC000072196093	191074805	/nfs/dbraw/zinc/07/48/05/191074805.db2.gz	WREKKGBPPSHXSP-SSDOTTSWSA-N	-1	3	317.048	2.559	10	10		DFCEHM
CC(=O)[N-]C1=NC(=O)C(=CNc2ccc3ccccc3c2)S1	ZINC000618255206	399054121	/nfs/dbraw/zinc/05/41/21/399054121.db2.gz	RLQIJLCCRPKWJS-ZROIWOOFSA-N	-1	3	311.366	2.859	10	10		DFCEHM
CC(=O)[N-]C1=NC(=O)C(=CNc2cccc3ccccc32)S1	ZINC000618255297	399054280	/nfs/dbraw/zinc/05/42/80/399054280.db2.gz	VVEOZDUKBSJJTH-ZROIWOOFSA-N	-1	3	311.366	2.859	10	10		DFCEHM
Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1C=Nc1ccccc1	ZINC000017031556	182069447	/nfs/dbraw/zinc/06/94/47/182069447.db2.gz	AZRDUGDQQSEEHO-GDNBJRDFSA-N	-1	3	307.357	2.812	10	10		DFCEHM
CCOC(=O)CSC1=NC(=O)/C(=C\c2ccc([O-])cc2)S1	ZINC000005045486	181196030	/nfs/dbraw/zinc/19/60/30/181196030.db2.gz	UDHWCWJKBJIIJV-YRNVUSSQSA-N	-1	3	323.395	2.659	10	10		DFCEHM
COc1ccc2c(=O)cc(-c3ccc([O-])c(O)c3)oc2c1OC	ZINC000013586382	425757644	/nfs/dbraw/zinc/75/76/44/425757644.db2.gz	AHNQLBUZUYKOGF-UHFFFAOYSA-N	-1	3	314.293	2.888	10	10		DFCEHM
CCCOc1cc([O-])c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O	ZINC000013454701	425754687	/nfs/dbraw/zinc/75/46/87/425754687.db2.gz	MUSZNTFYBZBCCZ-UHFFFAOYSA-N	-1	3	312.321	2.970	10	10		DFCEHM
COc1cc(OC)c2c(c1)C(=O)c1cc(C)c(C)c([O-])c1C2=O	ZINC000014779947	425774854	/nfs/dbraw/zinc/77/48/54/425774854.db2.gz	RYXFQWVOTANTTC-UHFFFAOYSA-N	-1	3	312.321	2.802	10	10		DFCEHM
CCOc1ccc2c(=O)c(O)c(-c3ccc([O-])c(O)c3)oc2c1	ZINC000014757011	425774900	/nfs/dbraw/zinc/77/49/00/425774900.db2.gz	HWUIYLCRDRBZIO-UHFFFAOYSA-N	-1	3	314.293	2.976	10	10		DFCEHM
Cc1c([O-])c(C)c2c(c1O)C(=O)C[C@H](c1ccc(O)c(O)c1)O2	ZINC000000004749	560126666	/nfs/dbraw/zinc/12/66/66/560126666.db2.gz	AESMRHCYHARBLU-CYBMUJFWSA-N	-1	3	316.309	2.832	10	10	biogenic,investigational	DFCEHM
Nc1cccc2c1C(=O)c1c([O-])c3ccccc3c(O)c1C2=O	ZINC000005086511	398350546	/nfs/dbraw/zinc/35/05/46/398350546.db2.gz	GMFQZOJLRGORRD-UHFFFAOYSA-N	-1	3	305.289	2.609	10	10		DFCEHM
Nc1cccc2c1C(=O)c1c(O)c3ccccc3c([O-])c1C2=O	ZINC000005086511	398350550	/nfs/dbraw/zinc/35/05/50/398350550.db2.gz	GMFQZOJLRGORRD-UHFFFAOYSA-N	-1	3	305.289	2.609	10	10		DFCEHM
O=C1c2ccccc2C(=O)N1Cc1ccc2cnccc2c1[O-]	ZINC000584619251	337373346	/nfs/dbraw/zinc/37/33/46/337373346.db2.gz	QPMDUUUWHFNKRA-UHFFFAOYSA-N	-1	3	304.305	2.737	10	10		DFCEHM
O=C1c2ccccc2C(=O)N1Cc1c([O-])ccc2ncccc21	ZINC000039318111	398559052	/nfs/dbraw/zinc/55/90/52/398559052.db2.gz	HJEAFWXZCFGVRV-UHFFFAOYSA-N	-1	3	304.305	2.737	10	10		DFCEHM
CCc1ccc2c(=O)c(O)c(-c3cc(O)c([O-])c(O)c3)oc2c1	ZINC000090415623	185295157	/nfs/dbraw/zinc/29/51/57/185295157.db2.gz	DKLDXUIAHRMKGO-UHFFFAOYSA-N	-1	3	314.293	2.845	10	10		DFCEHM
N[C@H](CF)c1c([O-])cc(Br)cc1Br	ZINC000238683538	398378311	/nfs/dbraw/zinc/37/83/11/398378311.db2.gz	WGMSWQWZULDYLW-ZCFIWIBFSA-N	-1	3	312.964	2.887	10	10		DFCEHM