smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c2ccccc12	ZINC000011613990	570537128	/nfs/dbraw/zinc/53/71/28/570537128.db2.gz	QAPIKRGCSOFYCX-UHFFFAOYSA-N	-2	1	399.468	4.518	50	0		GJAAML
CCCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c2ccccc12	ZINC000031903883	206088910	/nfs/dbraw/zinc/08/89/10/206088910.db2.gz	FVFRBWNHXYONBP-UHFFFAOYSA-N	-2	1	399.468	4.518	50	0		GJAAML
O=C([O-])C/C(=C/c1cc(F)c([O-])c(F)c1)c1nc2cc(Cl)ccc2s1	ZINC000095964092	211288881	/nfs/dbraw/zinc/28/88/81/211288881.db2.gz	AQMLMQJUCLKVMG-OQFOIZHKSA-N	-2	1	381.787	4.949	50	0		GJAAML
Cc1oc2c(cc([N-]S(=O)(=O)c3ccc(C)cc3)c3ccccc23)c1C(=O)[O-]	ZINC000005234922	570523714	/nfs/dbraw/zinc/52/37/14/570523714.db2.gz	ZYWNJLXKRWMFSL-UHFFFAOYSA-N	-2	1	395.436	4.702	50	0		GJAAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)cc1	ZINC000036293896	570562969	/nfs/dbraw/zinc/56/29/69/570562969.db2.gz	AYWSYJTWHIPSFL-UHFFFAOYSA-N	-2	1	387.844	4.506	50	0		GJAAML
CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[P@@](=O)([O-])O[P@@](=O)([O-])O	ZINC000012494625	570674793	/nfs/dbraw/zinc/67/47/93/570674793.db2.gz	VWFJDQUYCIWHTN-YFVJMOTDSA-N	-2	1	382.330	4.632	50	0	endogenous,in-man	GJAAML
CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[P@@](=O)([O-])O[P@](=O)([O-])O	ZINC000012494625	570674795	/nfs/dbraw/zinc/67/47/95/570674795.db2.gz	VWFJDQUYCIWHTN-YFVJMOTDSA-N	-2	1	382.330	4.632	50	0	endogenous,in-man	GJAAML
O=C([O-])c1cccc(-c2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCC5)o2)c1	ZINC000008743428	221054259	/nfs/dbraw/zinc/05/42/59/221054259.db2.gz	PKDOOWFDLLJJFC-UHFFFAOYSA-N	-2	1	392.436	4.901	50	0		GJAAML
COc1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)[O-])cc(Cl)c1[O-]	ZINC000007748839	212116845	/nfs/dbraw/zinc/11/68/45/212116845.db2.gz	IRRJLXPTYBYFAZ-XYOKQWHBSA-N	-2	1	381.815	4.787	50	0		GJAAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)c1	ZINC000036293984	570563060	/nfs/dbraw/zinc/56/30/60/570563060.db2.gz	GIWHXPBIKFOIEO-UHFFFAOYSA-N	-2	1	387.844	4.506	50	0		GJAAML
CCCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c2ccccc12	ZINC000011613987	570796156	/nfs/dbraw/zinc/79/61/56/570796156.db2.gz	QRFMSONCONDJLQ-UHFFFAOYSA-N	-2	1	399.468	4.518	50	0		GJAAML