smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2noc(-c3cc([N-]S(=O)(=O)c4cccc([N+](=O)[O-])c4)ccc3[O-])n2)cc1	ZINC000904360371	1070842996	/nfs/dbraw/zinc/84/29/96/1070842996.db2.gz	LLJQTTIBNWIYKC-UHFFFAOYSA-N	-2	3	468.447	3.827	20	5		JHBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(-c3nc(COc4ccc(F)cc4)no3)c2)c1	ZINC000904665062	1070980712	/nfs/dbraw/zinc/98/07/12/1070980712.db2.gz	GZCFVSVPFJDEJG-UHFFFAOYSA-N	-2	3	486.437	3.869	20	5		JHBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(-c3nc(Cc4cccs4)no3)c2)c1	ZINC000904344561	1070830427	/nfs/dbraw/zinc/83/04/27/1070830427.db2.gz	YVOJVSJAVUIKIC-UHFFFAOYSA-N	-2	3	458.477	3.804	20	5		JHBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(-c3nc(-c4cccc(F)c4)no3)c2)c1	ZINC000904538710	1070923484	/nfs/dbraw/zinc/92/34/84/1070923484.db2.gz	LXVAPFGFBYHFBV-UHFFFAOYSA-N	-2	3	456.411	3.957	20	5		JHBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(-c3nc(-c4ccc5c(c4)CCO5)no3)c2)c1	ZINC000904685239	1070991813	/nfs/dbraw/zinc/99/18/13/1070991813.db2.gz	CNIWIKSCPXSODB-UHFFFAOYSA-N	-2	3	480.458	3.753	20	5		JHBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(-c3nc(COc4ccccc4F)no3)c2)c1	ZINC000904729126	1071006211	/nfs/dbraw/zinc/00/62/11/1071006211.db2.gz	VCACZRMHEALNNS-UHFFFAOYSA-N	-2	3	486.437	3.869	20	5		JHBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(-c3nc(Cn4cnc5ccccc54)no3)c2)c1	ZINC000904737396	1071006368	/nfs/dbraw/zinc/00/63/68/1071006368.db2.gz	WPNOBFKHBGBILO-UHFFFAOYSA-N	-2	3	492.473	3.549	20	5		JHBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(-c3nc(CCC(F)(F)F)no3)c2)c1	ZINC000904868508	1071133480	/nfs/dbraw/zinc/13/34/80/1071133480.db2.gz	CJRLCHZEJLCSEH-UHFFFAOYSA-N	-2	3	458.374	3.646	20	5		JHBDHL
COC1(c2noc(-c3cc([N-]S(=O)(=O)c4cccc([N+](=O)[O-])c4)ccc3[O-])n2)CCCC1	ZINC000904835405	1071092189	/nfs/dbraw/zinc/09/21/89/1071092189.db2.gz	JVGUCPHTQCQZNI-UHFFFAOYSA-N	-2	3	460.468	3.567	20	5		JHBDHL
COc1ccccc1-c1noc(-c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2[O-])n1	ZINC000904270842	1070789238	/nfs/dbraw/zinc/78/92/38/1070789238.db2.gz	OXJKLYIXISXDEO-UHFFFAOYSA-N	-2	3	468.447	3.827	20	5		JHBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(-c3nc(Cc4ccccc4)no3)c2)c1	ZINC000904319487	1070811412	/nfs/dbraw/zinc/81/14/12/1070811412.db2.gz	DMFDOOSCDBZPSR-UHFFFAOYSA-N	-2	3	452.448	3.742	20	5		JHBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(-c3nc(-c4ccc(F)cc4)no3)c2)c1	ZINC000904273944	1070789300	/nfs/dbraw/zinc/78/93/00/1070789300.db2.gz	DHXCFPYVFUCEQK-UHFFFAOYSA-N	-2	3	456.411	3.957	20	5		JHBDHL
Cc1ccnc(-c2noc(-c3cc([N-]S(=O)(=O)c4cccc([N+](=O)[O-])c4)ccc3[O-])n2)c1	ZINC000904941216	1071217507	/nfs/dbraw/zinc/21/75/07/1071217507.db2.gz	VVSWTSWBYAIZLA-UHFFFAOYSA-N	-2	3	453.436	3.522	20	5		JHBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(-c3nc(CCc4ccccc4)no3)c2)c1	ZINC000904584890	1070946821	/nfs/dbraw/zinc/94/68/21/1070946821.db2.gz	XFDYBEGPDUSMAZ-UHFFFAOYSA-N	-2	3	466.475	3.936	20	5		JHBDHL
COc1ccc(-c2noc(-c3cc([N-]S(=O)(=O)c4cccc([N+](=O)[O-])c4)ccc3[O-])n2)cc1OC	ZINC000904284244	1070798545	/nfs/dbraw/zinc/79/85/45/1070798545.db2.gz	GHVOUJRVWLDJNK-UHFFFAOYSA-N	-2	3	498.473	3.835	20	5		JHBDHL
COc1cccc(-c2noc(-c3cc([N-]S(=O)(=O)c4cccc([N+](=O)[O-])c4)ccc3[O-])n2)c1	ZINC000904602341	1070955935	/nfs/dbraw/zinc/95/59/35/1070955935.db2.gz	KBZHOJYXWARUDS-UHFFFAOYSA-N	-2	3	468.447	3.827	20	5		JHBDHL
COc1ccc(Cc2noc(-c3cc([N-]S(=O)(=O)c4cccc([N+](=O)[O-])c4)ccc3[O-])n2)cc1	ZINC000904392492	1070857164	/nfs/dbraw/zinc/85/71/64/1070857164.db2.gz	ZWUVUNODDSKRSS-UHFFFAOYSA-N	-2	3	482.474	3.751	20	5		JHBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(-c3nc(COc4cccc(F)c4)no3)c2)c1	ZINC000904721774	1071006270	/nfs/dbraw/zinc/00/62/70/1071006270.db2.gz	WSUUCHFCWCSZOB-UHFFFAOYSA-N	-2	3	486.437	3.869	20	5		JHBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(-c3nc(-c4ccccc4F)no3)c2)c1	ZINC000904773191	1071023459	/nfs/dbraw/zinc/02/34/59/1071023459.db2.gz	CUKYGQKLFKJLEM-UHFFFAOYSA-N	-2	3	456.411	3.957	20	5		JHBDHL
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(-c3nc(COc4ccccc4)no3)c2)c1	ZINC000904304504	1070809982	/nfs/dbraw/zinc/80/99/82/1070809982.db2.gz	GCBPUPVJOIECMY-UHFFFAOYSA-N	-2	3	468.447	3.730	20	5		JHBDHL