smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1CSC(=O)N1[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000028284037	530078513	/nfs/dbraw/zinc/07/85/13/530078513.db2.gz	XWSKYFMRDAGPEK-JGVFFNPUSA-N	-2	3	388.427	-0.240	40	0		GBABHL
O=C1CSC(=O)N1[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000028284040	530078468	/nfs/dbraw/zinc/07/84/68/530078468.db2.gz	XWSKYFMRDAGPEK-YUMQZZPRSA-N	-2	3	388.427	-0.240	40	0		GBABHL
O=C1CSC(=O)N1[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000028284041	530078312	/nfs/dbraw/zinc/07/83/12/530078312.db2.gz	XWSKYFMRDAGPEK-HTQZYQBOSA-N	-2	3	388.427	-0.240	40	0		GBABHL
O=C1CSC(=O)N1[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000028284043	530078417	/nfs/dbraw/zinc/07/84/17/530078417.db2.gz	XWSKYFMRDAGPEK-SFYZADRCSA-N	-2	3	388.427	-0.240	40	0		GBABHL
COC(=O)c1cc([N-]S(=O)(=O)c2c[nH]c(=O)[n-]c2=O)cc(C(=O)OC)c1	ZINC000032553912	570511295	/nfs/dbraw/zinc/51/12/95/570511295.db2.gz	ZVSCNEAHKHJTHI-UHFFFAOYSA-N	-2	3	383.338	-0.563	40	0		GBABHL
O=C1C[C@@H]2Oc3ccccc3C([O-])=C2C([O-])=C1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000036728545	570561701	/nfs/dbraw/zinc/56/17/01/570561701.db2.gz	STROWOOGLVSFQM-OCCZIOASSA-N	-2	3	392.360	-0.644	40	0		GBABHL
O=C1C[C@@H]2Oc3ccccc3C([O-])=C2C([O-])=C1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000036728546	570561857	/nfs/dbraw/zinc/56/18/57/570561857.db2.gz	STROWOOGLVSFQM-HFRKUIONSA-N	-2	3	392.360	-0.644	40	0		GBABHL
O=C1C[C@H]2Oc3ccccc3C([O-])=C2C([O-])=C1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000036728547	570561743	/nfs/dbraw/zinc/56/17/43/570561743.db2.gz	STROWOOGLVSFQM-SNSTVFJHSA-N	-2	3	392.360	-0.644	40	0		GBABHL
O=C1C[C@H]2Oc3ccccc3C([O-])=C2C([O-])=C1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	ZINC000036728548	570561606	/nfs/dbraw/zinc/56/16/06/570561606.db2.gz	STROWOOGLVSFQM-VBWPYMAOSA-N	-2	3	392.360	-0.644	40	0		GBABHL
COC(=O)c1ccc(NC(=O)CSc2nc([O-])c(NC(C)=O)c(=O)[n-]2)cc1	ZINC000104610976	570303008	/nfs/dbraw/zinc/30/30/08/570303008.db2.gz	VZASASVNXGGKHU-UHFFFAOYSA-N	-2	3	392.393	-0.338	40	0		GBABHL
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1c[nH]c(=O)[n-]c1=O	ZINC000223283876	570456361	/nfs/dbraw/zinc/45/63/61/570456361.db2.gz	GECCIPYOZHNGAW-UHFFFAOYSA-N	-2	3	385.354	-0.332	40	0		GBABHL
CC(C)(CC(=O)[O-])CC(=O)N[C@@H]1C[C@H](n2cnc3c2nc[n-]c3=O)[C@H](O)[C@@H]1O	ZINC000257231933	570765782	/nfs/dbraw/zinc/76/57/82/570765782.db2.gz	GITSVELNJGEONS-VQSQSKOLSA-N	-2	3	393.400	-0.426	40	0		GBABHL
O=C([O-])COc1cccc(C(=O)N2C[C@@H](O)[C@H](n3cc(F)c(=O)[n-]c3=O)C2)c1	ZINC000257268411	212014187	/nfs/dbraw/zinc/01/41/87/212014187.db2.gz	MLOYZVAXTQUFAJ-CHWSQXEVSA-N	-2	3	393.327	-0.391	40	0		GBABHL