smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1nc(C=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c([N+](=O)[O-])c([O-])[n-]1	ZINC000009295489	555071705	/nfs/dbraw/zinc/07/17/05/555071705.db2.gz	ZHXQKKSSPPXDNG-SOFGYWHQSA-N	-2	3	457.273	4.452	50	5		JIBAHL
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1	ZINC000012525850	525930721	/nfs/dbraw/zinc/93/07/21/525930721.db2.gz	HOBHXIRQVXFBQP-UHFFFAOYSA-N	-2	3	481.939	4.158	50	5		JIBAHL
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002864418	554390967	/nfs/dbraw/zinc/39/09/67/554390967.db2.gz	VXJFIJPFLUWXDW-UHFFFAOYSA-N	-2	3	481.939	4.158	50	5		JIBAHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1Cl	ZINC000002871920	554396186	/nfs/dbraw/zinc/39/61/86/554396186.db2.gz	UKEHBCJGKGSNMO-UHFFFAOYSA-N	-2	3	481.939	4.158	50	5		JIBAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2)cc1[N+](=O)[O-]	ZINC000008384494	554567624	/nfs/dbraw/zinc/56/76/24/554567624.db2.gz	NOUSZNTYLBIONX-UHFFFAOYSA-N	-2	3	495.966	4.467	50	5		JIBAHL
CCOc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000008671121	562949429	/nfs/dbraw/zinc/94/94/29/562949429.db2.gz	SMYPVIQBJWDUTI-UHFFFAOYSA-N	-2	3	479.493	4.227	50	5		JIBAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1[N+](=O)[O-]	ZINC000014186169	555727610	/nfs/dbraw/zinc/72/76/10/555727610.db2.gz	ATOCIGMTJFHHER-UHFFFAOYSA-N	-2	3	475.548	4.122	50	5		JIBAHL
Cc1[n-][nH]c(=O)c1C(c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1c(C)[n-][nH]c1=O	ZINC000013893660	555641560	/nfs/dbraw/zinc/64/15/60/555641560.db2.gz	PKHGIFKTQNQZFB-UHFFFAOYSA-N	-2	3	474.271	4.272	50	5		JIBAHL
Cc1ccc([N-]S(=O)(=O)c2ccc(-n3cc(C(=O)c4ccccc4[O-])cn3)c([N+](=O)[O-])c2)c(C)c1	ZINC000013140462	555337360	/nfs/dbraw/zinc/33/73/60/555337360.db2.gz	IMQCMYNSORHOIM-UHFFFAOYSA-N	-2	3	492.513	4.135	50	5		JIBAHL
O=c1nc(C=Cc2cc(Br)ccc2OCc2c(F)cccc2Cl)c([N+](=O)[O-])c([O-])[n-]1	ZINC000009235022	555008828	/nfs/dbraw/zinc/00/88/28/555008828.db2.gz	UPPGMYDDTDLKDT-GQCTYLIASA-N	-2	3	496.676	4.276	50	5		JIBAHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1Cl	ZINC000014186275	555727669	/nfs/dbraw/zinc/72/76/69/555727669.db2.gz	JTLUWPITICKFRL-UHFFFAOYSA-N	-2	3	495.966	4.467	50	5		JIBAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-]	ZINC000014186185	555727562	/nfs/dbraw/zinc/72/75/62/555727562.db2.gz	DJBHMRQYZLJWDL-UHFFFAOYSA-N	-2	3	481.939	4.158	50	5		JIBAHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1Cl	ZINC000002814708	554362146	/nfs/dbraw/zinc/36/21/46/554362146.db2.gz	KRXFYQVFPJUGSJ-UHFFFAOYSA-N	-2	3	481.939	4.158	50	5		JIBAHL
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1S(=O)(=O)[N-]c1cccc(Cl)c1	ZINC000012625686	195059699	/nfs/dbraw/zinc/05/96/99/195059699.db2.gz	AXVVUQQDASMHNP-UHFFFAOYSA-N	-2	3	495.966	4.467	50	5		JIBAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2[N+](=O)[O-])cc1	ZINC000009492378	555272220	/nfs/dbraw/zinc/27/22/20/555272220.db2.gz	RGZXPNQOVIYERU-UHFFFAOYSA-N	-2	3	481.939	4.158	50	5		JIBAHL
O=c1nc(C=Cc2cc(Br)ccc2OCc2ccccc2Cl)c([N+](=O)[O-])c([O-])[n-]1	ZINC000032125467	556430064	/nfs/dbraw/zinc/43/00/64/556430064.db2.gz	LKWZFLQEKYHXCO-ALCCZGGFSA-N	-2	3	478.686	4.137	50	5		JIBAHL