smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000059416519	195399489	/nfs/dbraw/zinc/39/94/89/195399489.db2.gz	RRXAHMIHFBDELV-WMZOPIPTSA-N	-2	3	456.842	2.854	40	5		JFBBHL
CCOC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2	ZINC000103769424	569837855	/nfs/dbraw/zinc/83/78/55/569837855.db2.gz	LENFKXNPPHIGIG-NVXWUHKLSA-N	-2	3	487.266	2.655	40	5		JFBBHL
CC(=O)c1[n-]n(-c2ccccc2[N+](=O)[O-])c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2	ZINC000103769285	569837960	/nfs/dbraw/zinc/83/79/60/569837960.db2.gz	SHKRMXJKOINHHR-WBVHZDCISA-N	-2	3	457.240	2.681	40	5		JFBBHL
CCOC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000016682638	520542529	/nfs/dbraw/zinc/54/25/29/520542529.db2.gz	YIQFDRMKHJZGSR-RDJZCZTQSA-N	-2	3	487.266	2.655	40	5		JFBBHL
CCOC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000103769447	569837899	/nfs/dbraw/zinc/83/78/99/569837899.db2.gz	RRXAHMIHFBDELV-FUHWJXTLSA-N	-2	3	456.842	2.854	40	5		JFBBHL
CC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2	ZINC000103769230	569837943	/nfs/dbraw/zinc/83/79/43/569837943.db2.gz	PNTQQEHYYGHBQV-NVXWUHKLSA-N	-2	3	457.240	2.681	40	5		JFBBHL
CC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2	ZINC000059416432	195399280	/nfs/dbraw/zinc/39/92/80/195399280.db2.gz	PNTQQEHYYGHBQV-RDJZCZTQSA-N	-2	3	457.240	2.681	40	5		JFBBHL
CCOC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000016682637	520545595	/nfs/dbraw/zinc/54/55/95/520545595.db2.gz	YIQFDRMKHJZGSR-WBVHZDCISA-N	-2	3	487.266	2.655	40	5		JFBBHL
CC(=O)c1[n-]n(-c2ccccc2[N+](=O)[O-])c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2	ZINC000103769279	569837849	/nfs/dbraw/zinc/83/78/49/569837849.db2.gz	SHKRMXJKOINHHR-NVXWUHKLSA-N	-2	3	457.240	2.681	40	5		JFBBHL
COc1cc(Br)c(Br)c(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1[O-]	ZINC000033795379	569635391	/nfs/dbraw/zinc/63/53/91/569635391.db2.gz	LQQNCMDRCJMYFJ-NSCUHMNNSA-N	-2	3	463.038	2.793	40	5		JFBBHL
Cc1nn(CCC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(C)c1[N+](=O)[O-]	ZINC000036615082	569778305	/nfs/dbraw/zinc/77/83/05/569778305.db2.gz	JDTXYWAFCZGKFU-UHFFFAOYSA-N	-2	3	451.288	2.782	40	5		JFBBHL
CCOC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100942655	569777061	/nfs/dbraw/zinc/77/70/61/569777061.db2.gz	YIQFDRMKHJZGSR-NVXWUHKLSA-N	-2	3	487.266	2.655	40	5		JFBBHL
CCOC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000103769442	569837966	/nfs/dbraw/zinc/83/79/66/569837966.db2.gz	RRXAHMIHFBDELV-AEFFLSMTSA-N	-2	3	456.842	2.854	40	5		JFBBHL
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)n1	ZINC000020484377	524592504	/nfs/dbraw/zinc/59/25/04/524592504.db2.gz	SBGSVHODHNXLMD-UHFFFAOYSA-N	-2	3	477.524	2.744	40	5		JFBBHL
O=[N+]([O-])c1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1	ZINC000019933006	555550346	/nfs/dbraw/zinc/55/03/46/555550346.db2.gz	RMNBUYVADZUXAK-UHFFFAOYSA-N	-2	3	454.511	2.794	40	5		JFBBHL
CCOC(=O)c1[n-]n(-c2ccc(Br)cc2)c2c([O-])n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100942658	569777048	/nfs/dbraw/zinc/77/70/48/569777048.db2.gz	YIQFDRMKHJZGSR-DOTOQJQBSA-N	-2	3	487.266	2.655	40	5		JFBBHL
CCOC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2	ZINC000103769427	569837919	/nfs/dbraw/zinc/83/79/19/569837919.db2.gz	LENFKXNPPHIGIG-WBVHZDCISA-N	-2	3	487.266	2.655	40	5		JFBBHL
CC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2	ZINC000103769236	569837923	/nfs/dbraw/zinc/83/79/23/569837923.db2.gz	PNTQQEHYYGHBQV-DOTOQJQBSA-N	-2	3	457.240	2.681	40	5		JFBBHL
CCOC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2	ZINC000059416512	195399469	/nfs/dbraw/zinc/39/94/69/195399469.db2.gz	LENFKXNPPHIGIG-RDJZCZTQSA-N	-2	3	487.266	2.655	40	5		JFBBHL
CC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2	ZINC000103769233	569837929	/nfs/dbraw/zinc/83/79/29/569837929.db2.gz	PNTQQEHYYGHBQV-WBVHZDCISA-N	-2	3	457.240	2.681	40	5		JFBBHL
CCOC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3cccc(Cl)c3C)c(=O)c1-2	ZINC000103769437	569837860	/nfs/dbraw/zinc/83/78/60/569837860.db2.gz	RRXAHMIHFBDELV-SJLPKXTDSA-N	-2	3	456.842	2.854	40	5		JFBBHL
CCc1nc(SC(=Cc2cc(I)c([O-])c([N+](=O)[O-])c2)C(=O)[O-])n[n-]1	ZINC000408633166	569984346	/nfs/dbraw/zinc/98/43/46/569984346.db2.gz	WSEGTBPNNARGFP-UITAMQMPSA-N	-3	3	462.225	2.803	40	5		JFBBHL
CC(=O)c1[n-]n(-c2ccccc2[N+](=O)[O-])c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2	ZINC000059416450	195399451	/nfs/dbraw/zinc/39/94/51/195399451.db2.gz	SHKRMXJKOINHHR-RDJZCZTQSA-N	-2	3	457.240	2.681	40	5		JFBBHL
CC(=O)c1[n-]n(-c2ccccc2[N+](=O)[O-])c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2	ZINC000103769288	569837952	/nfs/dbraw/zinc/83/79/52/569837952.db2.gz	SHKRMXJKOINHHR-DOTOQJQBSA-N	-2	3	457.240	2.681	40	5		JFBBHL
CCOC(=O)c1[n-]n(-c2ccc([N+](=O)[O-])cc2)c2c([O-])n(-c3ccc(Br)cc3)c(=O)c1-2	ZINC000103769431	569837955	/nfs/dbraw/zinc/83/79/55/569837955.db2.gz	LENFKXNPPHIGIG-DOTOQJQBSA-N	-2	3	487.266	2.655	40	5		JFBBHL