smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(-c2csc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)n2)cc1	ZINC000832906805	601127397	/nfs/dbraw/zinc/12/73/97/601127397.db2.gz	BPWIZOFHPVTJNX-UHFFFAOYSA-N	-2	0	374.443	3.618	20	10		FHCDRL
Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1nc(-c2ccccc2)cs1	ZINC000738276851	599966504	/nfs/dbraw/zinc/96/65/04/599966504.db2.gz	CSBXCLDFCAJCMA-UHFFFAOYSA-N	-2	0	374.443	3.618	20	10		FHCDRL
Cc1cccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)c1C(=O)[O-]	ZINC000738747334	600050362	/nfs/dbraw/zinc/05/03/62/600050362.db2.gz	SZTSOXRKSJDYJP-UHFFFAOYSA-N	-2	0	374.443	3.618	20	10		FHCDRL
CN(C(=O)[O-])c1ccc(NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1	ZINC000833685051	604775577	/nfs/dbraw/zinc/77/55/77/604775577.db2.gz	CAZJCUJWRPEZFO-UHFFFAOYSA-N	-2	0	351.746	3.680	20	10		FHCDRL
Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])c(Cl)c1	ZINC000314772814	946600608	/nfs/dbraw/zinc/60/06/08/946600608.db2.gz	JWZMXDFRRZBIBA-UHFFFAOYSA-N	-2	0	367.641	3.857	20	10		FHCDRL
Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)ccc1C#N	ZINC000318493269	940836941	/nfs/dbraw/zinc/83/69/41/940836941.db2.gz	CJRLDCSPYDEKEX-UHFFFAOYSA-N	-2	0	357.218	3.680	20	10		FHCDRL
Cc1sc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)nc1-c1ccccc1	ZINC000833036645	601129611	/nfs/dbraw/zinc/12/96/11/601129611.db2.gz	LLUAQSGGVZHTKT-UHFFFAOYSA-N	-2	0	374.443	3.618	20	10		FHCDRL
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nc(-c2ccccc2)cs1	ZINC000738347979	600049982	/nfs/dbraw/zinc/04/99/82/600049982.db2.gz	VMDBQECJHHBPJV-UHFFFAOYSA-N	-2	0	374.443	3.618	20	10		FHCDRL
Cc1nc(C)c(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)s1	ZINC000179588741	939889314	/nfs/dbraw/zinc/88/93/14/939889314.db2.gz	ZLZZVJATVFCIDH-UHFFFAOYSA-N	-2	0	353.252	3.573	20	10		FHCDRL
Cc1ccccc1S(=O)(=O)[N-]c1nc(-c2ccc(C(=O)[O-])cc2)cs1	ZINC000738785234	600052367	/nfs/dbraw/zinc/05/23/67/600052367.db2.gz	LZSLNUAIJYJLJV-UHFFFAOYSA-N	-2	0	374.443	3.618	20	10		FHCDRL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(N=Nc3ccccc3)cc2)c[nH]1	ZINC000751259690	600670423	/nfs/dbraw/zinc/67/04/23/600670423.db2.gz	BZOCYBRTHDVXQJ-UHFFFAOYSA-N	-2	0	370.390	3.929	20	10		FHCDRL
Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)c1F	ZINC000313229481	945528951	/nfs/dbraw/zinc/52/89/51/945528951.db2.gz	NZEBXMQBZICFRD-UHFFFAOYSA-N	-2	0	350.198	3.947	20	10		FHCDRL
Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)cc1C(=O)[O-]	ZINC000832956455	600828559	/nfs/dbraw/zinc/82/85/59/600828559.db2.gz	BSNIWAXVEXXGQX-UHFFFAOYSA-N	-2	0	374.443	3.618	20	10		FHCDRL
Cc1cc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)ccc1C(=O)[O-]	ZINC000832904725	600975475	/nfs/dbraw/zinc/97/54/75/600975475.db2.gz	YZNSXOWQAMUTOM-UHFFFAOYSA-N	-2	0	374.443	3.618	20	10		FHCDRL
Cc1oc(C)c(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)c1C(=O)[O-]	ZINC000832898085	601493453	/nfs/dbraw/zinc/49/34/53/601493453.db2.gz	CJSRWXXXXRVCCT-UHFFFAOYSA-N	-2	0	367.423	3.533	20	10		FHCDRL