smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1cnn(-c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])c1)c1ccccc1[O-]	ZINC000034849487	569667207	/nfs/dbraw/zinc/66/72/07/569667207.db2.gz	FIUQJDBXHYEKFY-UHFFFAOYSA-N	-2	1	464.459	3.518	50	5		JHBAML
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1O	ZINC000012525853	525930201	/nfs/dbraw/zinc/93/02/01/525930201.db2.gz	DHPXVRICYBTXEN-UHFFFAOYSA-N	-2	1	497.938	3.864	50	5		JHBAML
Cc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	ZINC000002864799	554390913	/nfs/dbraw/zinc/39/09/13/554390913.db2.gz	QFRAJTMCZGPKPB-UHFFFAOYSA-N	-2	1	455.448	3.655	50	5		JHBAML
O=C(c1cnn(-c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2[N+](=O)[O-])c1)c1cc(F)ccc1[O-]	ZINC000012530292	556000247	/nfs/dbraw/zinc/00/02/47/556000247.db2.gz	SEIFYKVCGHTWKI-UHFFFAOYSA-N	-2	1	482.449	3.657	50	5		JHBAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3[N+](=O)[O-])c2)c1	ZINC000008453704	194452497	/nfs/dbraw/zinc/45/24/97/194452497.db2.gz	CAKQNVDMKAZFRN-UHFFFAOYSA-N	-2	1	475.866	4.000	50	5		JHBAML
Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1	ZINC000002864817	554390960	/nfs/dbraw/zinc/39/09/60/554390960.db2.gz	OCROSBOUWBNQNS-UHFFFAOYSA-N	-2	1	455.448	3.655	50	5		JHBAML
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(NC3CCCCC3)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1	ZINC000006088982	554503856	/nfs/dbraw/zinc/50/38/56/554503856.db2.gz	WBCNPZMZGYFZCW-UHFFFAOYSA-N	-3	1	463.468	3.537	50	5		JHBAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1	ZINC000002860274	554386712	/nfs/dbraw/zinc/38/67/12/554386712.db2.gz	WMYZSFJPBQLFRK-UHFFFAOYSA-N	-2	1	475.866	4.000	50	5		JHBAML
COc1ccccc1[N-]S(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)ccc1C	ZINC000012525851	524641012	/nfs/dbraw/zinc/64/10/12/524641012.db2.gz	GWQVJGWLLMBLJS-UHFFFAOYSA-N	-2	1	491.547	3.822	50	5		JHBAML
Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000015686151	526222472	/nfs/dbraw/zinc/22/24/72/526222472.db2.gz	OSNGJKOGCDXMAL-UHFFFAOYSA-N	-2	1	455.448	3.655	50	5		JHBAML
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1	ZINC000016124642	527405556	/nfs/dbraw/zinc/40/55/56/527405556.db2.gz	LLENDKRQNGQKJD-UHFFFAOYSA-N	-2	1	467.912	3.850	50	5		JHBAML
Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1	ZINC000002860268	554386733	/nfs/dbraw/zinc/38/67/33/554386733.db2.gz	GMRUIAMPSLWXPN-UHFFFAOYSA-N	-2	1	455.448	3.655	50	5		JHBAML
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000002987725	554420349	/nfs/dbraw/zinc/42/03/49/554420349.db2.gz	PIESXQMDXHJIJR-UHFFFAOYSA-N	-2	1	467.912	3.850	50	5		JHBAML
Cc1nc(SCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[n-]c(=O)c1Cc1ccccc1Cl	ZINC000018191127	556301279	/nfs/dbraw/zinc/30/12/79/556301279.db2.gz	JBHSQJWDXDKGNN-UHFFFAOYSA-N	-2	1	488.909	3.660	50	5		JHBAML
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)c1	ZINC000002860330	554386693	/nfs/dbraw/zinc/38/66/93/554386693.db2.gz	SLKHPDIIBHYULP-UHFFFAOYSA-N	-2	1	475.866	4.000	50	5		JHBAML
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3[N+](=O)[O-])c2)cc1	ZINC000008927143	554824566	/nfs/dbraw/zinc/82/45/66/554824566.db2.gz	IGVPWYNMSHIQPV-UHFFFAOYSA-N	-2	1	475.866	4.000	50	5		JHBAML
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Br)c1OCc1ccccc1	ZINC000013955260	555659642	/nfs/dbraw/zinc/65/96/42/555659642.db2.gz	WVMFQQKAXSGMFK-BQYQJAHWSA-N	-2	1	474.267	3.904	50	5		JHBAML
Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	ZINC000035337461	563120022	/nfs/dbraw/zinc/12/00/22/563120022.db2.gz	RELSKAQDDODSBI-UHFFFAOYSA-N	-2	1	455.448	3.655	50	5		JHBAML