smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)[C@@H]1C=CC=C[C@H]1[N+](=O)[O-]	ZINC000106420494	569854189	/nfs/dbraw/zinc/85/41/89/569854189.db2.gz	VASWCMFBJVEZPX-FGZHOGPDSA-N	-2	0	483.528	4.605	50	5		JJBARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)[C@H]1C=CC=C[C@@H]1[N+](=O)[O-]	ZINC000106420492	569854231	/nfs/dbraw/zinc/85/42/31/569854231.db2.gz	VASWCMFBJVEZPX-VXKWHMMOSA-N	-2	0	483.528	4.605	50	5		JJBARL
O=C([O-])/C(=C\c1ccccc1[N+](=O)[O-])c1cccc(/C(=C/c2ccccc2[N+](=O)[O-])C(=O)[O-])c1	ZINC000071785259	569698279	/nfs/dbraw/zinc/69/82/79/569698279.db2.gz	GVPWNMIBAOVWOU-AXPXABNXSA-N	-2	0	460.398	4.753	50	5		JJBARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1ccc([N+](=O)[O-])cc1	ZINC000100998843	569778854	/nfs/dbraw/zinc/77/88/54/569778854.db2.gz	UPLCSJYZDURRJX-DNQXCXABSA-N	-2	0	481.512	4.756	50	5		JJBARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1ccc([N+](=O)[O-])cc1	ZINC000248056408	570073307	/nfs/dbraw/zinc/07/33/07/570073307.db2.gz	UPLCSJYZDURRJX-LNWKWYTESA-N	-2	0	481.512	4.756	50	5		JJBARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cccc([N+](=O)[O-])c1	ZINC000102572585	569814347	/nfs/dbraw/zinc/81/43/47/569814347.db2.gz	ZHSXWBZNQBSUEY-NOZRDPDXSA-N	-2	0	481.512	4.965	50	5		JJBARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1ccc([N+](=O)[O-])cc1	ZINC000100998839	569778788	/nfs/dbraw/zinc/77/87/88/569778788.db2.gz	UPLCSJYZDURRJX-ZEQRLZLVSA-N	-2	0	481.512	4.756	50	5		JJBARL
CCOC(=O)c1ccc([N-]c2nc([N-]c3ccc(C(=O)OCC)cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000009554204	555350733	/nfs/dbraw/zinc/35/07/33/555350733.db2.gz	GZQDEONZRKTOJJ-UHFFFAOYSA-N	-2	0	495.448	4.739	50	5		JJBARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000100190968	569755042	/nfs/dbraw/zinc/75/50/42/569755042.db2.gz	ZBAVVGZRHSVKGD-UHFFFAOYSA-N	-3	0	497.511	4.880	50	5		JJBARL
O=S(=O)([O-])c1ccc(-c2ccnc3c2ccc2c(-c4ccc(S(=O)(=O)[O-])cc4)ccnc23)cc1	ZINC000005224032	527260759	/nfs/dbraw/zinc/26/07/59/527260759.db2.gz	HGFIOWHPOGLXPU-UHFFFAOYSA-N	-2	0	492.534	4.610	50	5	in-vitro	JJBARL
O=C([O-])/C(=C/c1ccccc1[N+](=O)[O-])c1cccc(/C(=C\c2ccccc2[N+](=O)[O-])C(=O)[O-])c1	ZINC000043761407	527542679	/nfs/dbraw/zinc/54/26/79/527542679.db2.gz	GVPWNMIBAOVWOU-IWGRKNQJSA-N	-2	0	460.398	4.753	50	5		JJBARL
O=C([O-])/C(=C/c1ccccc1[N+](=O)[O-])c1cccc(/C(=C/c2ccccc2[N+](=O)[O-])C(=O)[O-])c1	ZINC000071785258	569698202	/nfs/dbraw/zinc/69/82/02/569698202.db2.gz	GVPWNMIBAOVWOU-LRVMPXQBSA-N	-2	0	460.398	4.753	50	5		JJBARL
O=S(=O)([O-])c1nc2c(ccc3c(-c4ccccc4)ccnc32)c(-c2ccccc2)c1S(=O)(=O)[O-]	ZINC000095932618	569730610	/nfs/dbraw/zinc/73/06/10/569730610.db2.gz	HZZQDMGIGCTARB-UHFFFAOYSA-N	-2	0	492.534	4.610	50	5		JJBARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cccc([N+](=O)[O-])c1	ZINC000017123788	556220207	/nfs/dbraw/zinc/22/02/07/556220207.db2.gz	ZHSXWBZNQBSUEY-ZCYQVOJMSA-N	-2	0	481.512	4.965	50	5		JJBARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cccc([N+](=O)[O-])c1	ZINC000248073419	570073506	/nfs/dbraw/zinc/07/35/06/570073506.db2.gz	YUUCQRGSZMJREY-LNWKWYTESA-N	-2	0	481.512	4.756	50	5		JJBARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)[C@H]1C=CC=C[C@H]1[N+](=O)[O-]	ZINC000106420498	569854222	/nfs/dbraw/zinc/85/42/22/569854222.db2.gz	VASWCMFBJVEZPX-FCHUYYIVSA-N	-2	0	483.528	4.605	50	5		JJBARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000008440927	569590115	/nfs/dbraw/zinc/59/01/15/569590115.db2.gz	WRRFXZYQZFHEOL-UHFFFAOYSA-N	-3	0	497.511	4.880	50	5		JJBARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cccc([N+](=O)[O-])c1	ZINC000100921576	569775880	/nfs/dbraw/zinc/77/58/80/569775880.db2.gz	YUUCQRGSZMJREY-ZEQRLZLVSA-N	-2	0	481.512	4.756	50	5		JJBARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cccc([N+](=O)[O-])c1	ZINC000102572579	569814365	/nfs/dbraw/zinc/81/43/65/569814365.db2.gz	ZHSXWBZNQBSUEY-UKILVPOCSA-N	-2	0	481.512	4.965	50	5		JJBARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)[C@@H]1C=CC=C[C@@H]1[N+](=O)[O-]	ZINC000106420489	569854240	/nfs/dbraw/zinc/85/42/40/569854240.db2.gz	VASWCMFBJVEZPX-YADHBBJMSA-N	-2	0	483.528	4.605	50	5		JJBARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000100915572	569775627	/nfs/dbraw/zinc/77/56/27/569775627.db2.gz	HWFOEHZXLJCFEK-UHFFFAOYSA-N	-3	0	497.511	4.880	50	5		JJBARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cccc([N+](=O)[O-])c1	ZINC000100921577	569775877	/nfs/dbraw/zinc/77/58/77/569775877.db2.gz	YUUCQRGSZMJREY-DNQXCXABSA-N	-2	0	481.512	4.756	50	5		JJBARL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(c1c(C)[n-]n(-c2ccccc2)c1=O)c1cccc([N+](=O)[O-])c1	ZINC000102572590	569814372	/nfs/dbraw/zinc/81/43/72/569814372.db2.gz	ZHSXWBZNQBSUEY-ILBGXUMGSA-N	-2	0	481.512	4.965	50	5		JJBARL