smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CC(=O)[O-])C(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC000737983023	596909127	/nfs/dbraw/zinc/90/91/27/596909127.db2.gz	ZQCJJOAFASTRBV-UHFFFAOYSA-N	-2	3	302.308	-0.080	20	10		DBCDHL
C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)[O-]	ZINC000820129157	602273435	/nfs/dbraw/zinc/27/34/35/602273435.db2.gz	HAGIHIBCKUOMGL-ZCFIWIBFSA-N	-2	3	302.308	-0.033	20	10		DBCDHL
CO[N-]C(=O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-]	ZINC001179623202	833553746	/nfs/dbraw/zinc/55/37/46/833553746.db2.gz	FXWINYCKPWDEQD-UHFFFAOYSA-N	-2	3	317.323	-0.829	20	10		DBCDHL
O=C(NCc1nn[n-]n1)c1cc2cc(O)c([O-])cc2oc1=O	ZINC001155232745	831923340	/nfs/dbraw/zinc/92/33/40/831923340.db2.gz	WVCMAXTZKVQODA-UHFFFAOYSA-N	-2	3	303.234	-0.353	20	10		DBCDHL
C[C@H]1[C@H](NC(=O)c2cccc(O)c2[O-])C(=O)N1S(=O)(=O)[O-]	ZINC001148220160	831438175	/nfs/dbraw/zinc/43/81/75/831438175.db2.gz	UQNKXCAKMXCUTL-XNCJUZBTSA-N	-2	3	316.291	-0.770	20	10		DBCDHL
COC(=O)[C@H](CCC(=O)[O-])NC(=O)c1cc(O)c([O-])c(O)c1	ZINC001148589886	831464297	/nfs/dbraw/zinc/46/42/97/831464297.db2.gz	PNXQOGXSMZVJCE-ZETCQYMHSA-N	-2	3	313.262	-0.060	20	10		DBCDHL
CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCC(=O)[O-])c1	ZINC000818648292	597209895	/nfs/dbraw/zinc/20/98/95/597209895.db2.gz	OSSBIPCMUNIAGB-UHFFFAOYSA-N	-2	3	302.308	-0.032	20	10		DBCDHL
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])C(=O)[O-]	ZINC000738219948	600441424	/nfs/dbraw/zinc/44/14/24/600441424.db2.gz	HAGIHIBCKUOMGL-LURJTMIESA-N	-2	3	302.308	-0.033	20	10		DBCDHL
CS(=O)(=O)[N-]C(=O)CCNC(=O)c1cccc(O)c1[O-]	ZINC000281996842	377758742	/nfs/dbraw/zinc/75/87/42/377758742.db2.gz	HKSCZJFNFRIYMW-UHFFFAOYSA-N	-2	3	302.308	-0.707	20	10		DBCDHL
O=C(NCc1nc([O-])n[nH]1)c1cc2cc(O)c([O-])cc2oc1=O	ZINC001155234460	831923292	/nfs/dbraw/zinc/92/32/92/831923292.db2.gz	NGPSGGNQHIKSKF-UHFFFAOYSA-N	-2	3	318.245	-0.042	20	10		DBCDHL