smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c1	ZINC000044901259	527388070	/nfs/dbraw/zinc/38/80/70/527388070.db2.gz	UIETUZXJXCISBW-UHFFFAOYSA-N	-2	3	481.939	3.991	40	5		JHBBHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cc1	ZINC000408705819	570024825	/nfs/dbraw/zinc/02/48/25/570024825.db2.gz	OCPALKYSBWLMFU-UHFFFAOYSA-N	-2	3	461.521	3.813	40	5		JHBBHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)[C@H]1C=CC(OC(=O)c2cccc([N+](=O)[O-])c2)=CC1	ZINC000408927992	570079063	/nfs/dbraw/zinc/07/90/63/570079063.db2.gz	ZHBROSLDSCOIHA-ZDUSSCGKSA-N	-2	3	451.439	3.518	40	5		JHBBHL
CCOc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000044950154	521132808	/nfs/dbraw/zinc/13/28/08/521132808.db2.gz	RRGDVMSGUAGGPZ-UHFFFAOYSA-N	-2	3	491.547	3.736	40	5		JHBBHL
CCOc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cc1	ZINC000408705357	570024528	/nfs/dbraw/zinc/02/45/28/570024528.db2.gz	CXHOBRSEHUZIME-UHFFFAOYSA-N	-2	3	491.547	3.904	40	5		JHBBHL
O=c1[nH]c2ccccc2c([O-])c1C(c1cccc([N+](=O)[O-])c1)c1c([O-])c2ccccc2nc1O	ZINC000039921214	569812170	/nfs/dbraw/zinc/81/21/70/569812170.db2.gz	MUSYENVMJMAGBD-UHFFFAOYSA-N	-2	3	455.426	3.869	40	5		JHBBHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000409180752	570158957	/nfs/dbraw/zinc/15/89/57/570158957.db2.gz	VDORIXDYTKGDOJ-UHFFFAOYSA-N	-2	3	461.521	3.813	40	5		JHBBHL
CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006196126	520772036	/nfs/dbraw/zinc/77/20/36/520772036.db2.gz	XDSKOGQLYUPVNR-UHFFFAOYSA-N	-2	3	493.476	3.867	40	5		JHBBHL
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000408907523	570071301	/nfs/dbraw/zinc/07/13/01/570071301.db2.gz	QCAKFQWSFLOKPW-UHFFFAOYSA-N	-2	3	461.521	3.813	40	5		JHBBHL
Cc1cccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1	ZINC000408915296	570075040	/nfs/dbraw/zinc/07/50/40/570075040.db2.gz	ZEUMLPSUDAOYPQ-UHFFFAOYSA-N	-2	3	461.521	3.813	40	5		JHBBHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000408705868	570024791	/nfs/dbraw/zinc/02/47/91/570024791.db2.gz	PBHKOTQYLQCEMD-UHFFFAOYSA-N	-2	3	461.521	3.813	40	5		JHBBHL
CCOC1=C[C@H](C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)CC=C1OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000408926607	570078575	/nfs/dbraw/zinc/07/85/75/570078575.db2.gz	UUAMMVVSPXQKLS-CQSZACIVSA-N	-2	3	495.492	3.882	40	5		JHBBHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)[C@@H]1C=CC(OC(=O)c2cccc([N+](=O)[O-])c2)=CC1	ZINC000408927991	570079053	/nfs/dbraw/zinc/07/90/53/570079053.db2.gz	ZHBROSLDSCOIHA-CYBMUJFWSA-N	-2	3	451.439	3.518	40	5		JHBBHL
Cc1cccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)c1	ZINC000408702108	570022266	/nfs/dbraw/zinc/02/22/66/570022266.db2.gz	CEHITCNQUBFEGF-UHFFFAOYSA-N	-2	3	461.521	3.813	40	5		JHBBHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)[C@@H]1C=CC=C(OC(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000408927319	570078741	/nfs/dbraw/zinc/07/87/41/570078741.db2.gz	VZVYMEFJWHEQRM-CQSZACIVSA-N	-2	3	451.439	3.518	40	5		JHBBHL
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000022512964	524303698	/nfs/dbraw/zinc/30/36/98/524303698.db2.gz	DDZUDDHDHXAFLN-UHFFFAOYSA-N	-2	3	475.548	3.954	40	5		JHBBHL
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000035087776	569674797	/nfs/dbraw/zinc/67/47/97/569674797.db2.gz	PWZCJCDTESYCRL-UHFFFAOYSA-N	-2	3	461.521	3.813	40	5		JHBBHL
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000408702970	570023013	/nfs/dbraw/zinc/02/30/13/570023013.db2.gz	LDQROWAEHFWBFP-UHFFFAOYSA-N	-2	3	465.484	3.644	40	5		JHBBHL
O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1	ZINC000020483643	527388389	/nfs/dbraw/zinc/38/83/89/527388389.db2.gz	FOGOYBAGHNEDOH-UHFFFAOYSA-N	-2	3	481.939	3.991	40	5		JHBBHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)c1	ZINC000014223882	555734716	/nfs/dbraw/zinc/73/47/16/555734716.db2.gz	CMXLQWORSXUGJH-UHFFFAOYSA-N	-2	3	467.912	3.850	40	5		JHBBHL
COc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cc1	ZINC000408705523	570024667	/nfs/dbraw/zinc/02/46/67/570024667.db2.gz	HRXGACUSENUEAZ-UHFFFAOYSA-N	-2	3	477.520	3.513	40	5		JHBBHL
Cc1cccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000020486575	524692859	/nfs/dbraw/zinc/69/28/59/524692859.db2.gz	GPJPPUWIXHCEET-UHFFFAOYSA-N	-2	3	461.521	3.646	40	5		JHBBHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)c(C)c1	ZINC000020456883	525301626	/nfs/dbraw/zinc/30/16/26/525301626.db2.gz	OITGKOUZXYDZOF-UHFFFAOYSA-N	-2	3	475.548	3.954	40	5		JHBBHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2)c1	ZINC000035330743	569680955	/nfs/dbraw/zinc/68/09/55/569680955.db2.gz	DAPNDSYSBWANDN-UHFFFAOYSA-N	-2	3	467.912	3.850	40	5		JHBBHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000020452826	525301027	/nfs/dbraw/zinc/30/10/27/525301027.db2.gz	VYNXRNNGSWTJQZ-UHFFFAOYSA-N	-2	3	461.521	3.646	40	5		JHBBHL
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000107753258	569857268	/nfs/dbraw/zinc/85/72/68/569857268.db2.gz	YYKKNSRBFIQYFT-UHFFFAOYSA-N	-2	3	461.521	3.813	40	5		JHBBHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)[C@H]1C=CC=C(OC(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000408927314	570078756	/nfs/dbraw/zinc/07/87/56/570078756.db2.gz	VZVYMEFJWHEQRM-AWEZNQCLSA-N	-2	3	451.439	3.518	40	5		JHBBHL
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000022520070	523844368	/nfs/dbraw/zinc/84/43/68/523844368.db2.gz	LVORXDMZBFVFNV-UHFFFAOYSA-N	-2	3	491.547	3.655	40	5		JHBBHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)cc1C	ZINC000020041024	555613644	/nfs/dbraw/zinc/61/36/44/555613644.db2.gz	BGWUMBNJZIUYSA-UHFFFAOYSA-N	-2	3	475.548	3.954	40	5		JHBBHL
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000216458227	569878968	/nfs/dbraw/zinc/87/89/68/569878968.db2.gz	QKYMCKFGPDXRCP-UHFFFAOYSA-N	-2	3	475.548	3.954	40	5		JHBBHL
O=C([N-]c1cc([N-]C(=O)c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	ZINC000104579942	569845968	/nfs/dbraw/zinc/84/59/68/569845968.db2.gz	NBANAESGOQJTCP-UHFFFAOYSA-N	-2	3	496.348	3.824	40	5		JHBBHL
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000033873945	569636885	/nfs/dbraw/zinc/63/68/85/569636885.db2.gz	GZPHIFFZZCPQKR-UHFFFAOYSA-N	-2	3	461.521	3.813	40	5		JHBBHL
CCOC1=C[C@@H](C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)CC=C1OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000408926594	570078594	/nfs/dbraw/zinc/07/85/94/570078594.db2.gz	UUAMMVVSPXQKLS-AWEZNQCLSA-N	-2	3	495.492	3.882	40	5		JHBBHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000030751311	556371206	/nfs/dbraw/zinc/37/12/06/556371206.db2.gz	JUXXSAIOZPTIIJ-UHFFFAOYSA-N	-2	3	461.521	3.646	40	5		JHBBHL