smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)[O-]	ZINC000004701676	181139060	/nfs/dbraw/zinc/13/90/60/181139060.db2.gz	FAEALMZEEPUTRR-NTEUORMPSA-N	-2	0	313.265	2.918	50	5		DFBARL
O=C([O-])c1cc(-c2ccc(C(=O)[O-])c(F)c2)cc([N+](=O)[O-])c1	ZINC000095495280	304219145	/nfs/dbraw/zinc/21/91/45/304219145.db2.gz	SVIKXSQWSVBQEK-UHFFFAOYSA-N	-2	0	305.217	2.797	50	5		DFBARL
CCC[C@H](CCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-]	ZINC000020035170	425793050	/nfs/dbraw/zinc/79/30/50/425793050.db2.gz	WDKLVJMLWYWHQX-SECBINFHSA-N	-2	0	310.306	2.520	50	5		DFBARL
O=c1[n-]c(C=Cc2cccc3ccccc23)nc([O-])c1[N+](=O)[O-]	ZINC000009010312	425680534	/nfs/dbraw/zinc/68/05/34/425680534.db2.gz	JPSASVOXDJPDAT-CMDGGOBGSA-N	-2	0	309.281	2.707	50	5		DFBARL
O=C([O-])c1cc(F)cc(-c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000077031515	304224872	/nfs/dbraw/zinc/22/48/72/304224872.db2.gz	QUQDVFDWNGGIOY-UHFFFAOYSA-N	-2	0	305.217	2.797	50	5		DFBARL
O=C([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-]	ZINC000000135846	425539245	/nfs/dbraw/zinc/53/92/45/425539245.db2.gz	USFYQEDSCKKGPH-UHFFFAOYSA-N	-2	0	303.226	2.784	50	5		DFBARL
O=c1[n-]c(C=Cc2cccc3ccccc23)nc([O-])c1[N+](=O)[O-]	ZINC000016526166	182048504	/nfs/dbraw/zinc/04/85/04/182048504.db2.gz	JPSASVOXDJPDAT-HJWRWDBZSA-N	-2	0	309.281	2.707	50	5		DFBARL
CCCCCCS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1[O-]	ZINC000003833004	181048079	/nfs/dbraw/zinc/04/80/79/181048079.db2.gz	NUTCHDNEAHCPMW-UHFFFAOYSA-N	-2	0	302.352	2.622	50	5		DFBARL
O=C([O-])c1cc(Nc2ccccc2)c([N+](=O)[O-])cc1C(=O)[O-]	ZINC000004798256	181153122	/nfs/dbraw/zinc/15/31/22/181153122.db2.gz	FVJBRBSYICZDQX-UHFFFAOYSA-N	-2	0	302.242	2.735	50	5		DFBARL
O=C([O-])c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000000286232	425550987	/nfs/dbraw/zinc/55/09/87/425550987.db2.gz	VUDXTDPDLUQWOZ-UHFFFAOYSA-N	-2	0	303.226	2.784	50	5		DFBARL
CCCC[C@@H](CCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-]	ZINC000020035174	425792139	/nfs/dbraw/zinc/79/21/39/425792139.db2.gz	BMZCNZLWTPUWNG-JTQLQIEISA-N	-2	0	324.333	2.910	50	5		DFBARL
CCCC[C@H](CCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-]	ZINC000020035178	425793004	/nfs/dbraw/zinc/79/30/04/425793004.db2.gz	BMZCNZLWTPUWNG-SNVBAGLBSA-N	-2	0	324.333	2.910	50	5		DFBARL
O=C([O-])c1cc(-c2ccc(F)c(C(=O)[O-])c2)cc([N+](=O)[O-])c1	ZINC000085477151	304219122	/nfs/dbraw/zinc/21/91/22/304219122.db2.gz	CKJZZCYBUBGGBB-UHFFFAOYSA-N	-2	0	305.217	2.797	50	5		DFBARL
CCC[C@@H](CCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C(=O)[O-]	ZINC000020035166	283517379	/nfs/dbraw/zinc/51/73/79/283517379.db2.gz	WDKLVJMLWYWHQX-VIFPVBQESA-N	-2	0	310.306	2.520	50	5		DFBARL
CC(C)c1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1	ZINC000012382917	280590036	/nfs/dbraw/zinc/59/00/36/280590036.db2.gz	DYUKDMLWCXKOSP-VMPITWQZSA-N	-2	0	301.302	2.678	50	5		DFBARL