smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(CC)(C(=O)[O-])C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000593919962	345552137	/nfs/dbraw/zinc/55/21/37/345552137.db2.gz	BRFWMPHKJWCIGN-UHFFFAOYSA-N	-2	0	296.279	2.130	20	5		CEBDRL
CSc1nc(O[C@@H](C)C2=CC=C[CH]2)c([N+](=O)[O-])c(=O)[n-]1	ZINC001227624988	805960435	/nfs/dbraw/zinc/96/04/35/805960435.db2.gz	LRVQBHROXGOEII-ZETCQYMHSA-N	-2	0	294.312	2.280	20	5		CEBDRL
O=C(Nc1cc(F)ccc1O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000159429220	232247062	/nfs/dbraw/zinc/24/70/62/232247062.db2.gz	RPLIXCMTXQHOHN-UHFFFAOYSA-N	-2	0	292.222	2.397	20	5		CEBDRL
O=C([O-])c1ccc(Nc2ncc(F)cc2[O-])cc1[N+](=O)[O-]	ZINC001174503091	816029763	/nfs/dbraw/zinc/02/97/63/816029763.db2.gz	COMWIPVUBKGORJ-UHFFFAOYSA-N	-2	0	293.210	2.276	20	5		CEBDRL
CC(C)Cc1nnc(-c2cc([N+](=O)[O-])c([O-])cc2[O-])o1	ZINC001256503487	814464175	/nfs/dbraw/zinc/46/41/75/814464175.db2.gz	ZKAUXKSNZGQBMB-UHFFFAOYSA-N	-2	0	279.252	2.255	20	5		CEBDRL
O=C([O-])/C(=C/c1cc([O-])ccc1[N+](=O)[O-])c1ccncc1	ZINC000833164669	604772198	/nfs/dbraw/zinc/77/21/98/604772198.db2.gz	ZXJGMNJUAMFDFA-XYOKQWHBSA-N	-2	0	286.243	2.321	20	5		CEBDRL
O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c(F)c1	ZINC000063008753	362742166	/nfs/dbraw/zinc/74/21/66/362742166.db2.gz	DGRDYDPQXHODAG-UHFFFAOYSA-N	-2	0	294.194	2.277	20	5		CEBDRL
O=C(Nc1cc(F)ccc1O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000119381596	394768034	/nfs/dbraw/zinc/76/80/34/394768034.db2.gz	WIZQNEGWZNIDHP-UHFFFAOYSA-N	-2	0	292.222	2.397	20	5		CEBDRL
C[C@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])C1=CC=C[CH]1	ZINC001231072081	810585155	/nfs/dbraw/zinc/58/51/55/810585155.db2.gz	RHPUHTLBGFWMAJ-LURJTMIESA-N	-2	0	282.663	2.212	20	5		CEBDRL
O=C(Nc1ccc(F)cc1[O-])c1ccc([N+](=O)[O-])c([O-])c1	ZINC000488507318	380105779	/nfs/dbraw/zinc/10/57/79/380105779.db2.gz	WRSFMBHCFGEFRW-UHFFFAOYSA-N	-2	0	292.222	2.397	20	5		CEBDRL
CC(C)(CC(=O)[O-])CC(=O)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000029006801	361680057	/nfs/dbraw/zinc/68/00/57/361680057.db2.gz	ODFNPCBBYUBPNW-UHFFFAOYSA-N	-2	0	296.279	2.130	20	5		CEBDRL
C[C@@H](Oc1nc(=O)[n-]c(Cl)c1[N+](=O)[O-])C1=CC=C[CH]1	ZINC001231072082	810585483	/nfs/dbraw/zinc/58/54/83/810585483.db2.gz	RHPUHTLBGFWMAJ-ZCFIWIBFSA-N	-2	0	282.663	2.212	20	5		CEBDRL
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c([O-])cccc1F	ZINC000185620135	368831587	/nfs/dbraw/zinc/83/15/87/368831587.db2.gz	CGVNZURFWAVJLI-UHFFFAOYSA-N	-2	0	292.222	2.397	20	5		CEBDRL
O=C([O-])/C(=C/c1ccc([N+](=O)[O-])c([O-])c1)c1ccncc1	ZINC000739491005	574920890	/nfs/dbraw/zinc/92/08/90/574920890.db2.gz	UJVGMVBYTSSDRE-YRNVUSSQSA-N	-2	0	286.243	2.321	20	5		CEBDRL
CC(C)(CC(=O)[O-])CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000029004429	278598368	/nfs/dbraw/zinc/59/83/68/278598368.db2.gz	YXTFTVPULJFOLR-UHFFFAOYSA-N	-2	0	296.279	2.130	20	5		CEBDRL
O=C(Nc1ccccc1O)c1cccc([O-])c1[N+](=O)[O-]	ZINC000343121788	367674943	/nfs/dbraw/zinc/67/49/43/367674943.db2.gz	AJAXQMAQCRYKPE-UHFFFAOYSA-N	-2	0	274.232	2.258	20	5		CEBDRL
O=C(Nc1cccc(O)c1F)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000185783651	368860240	/nfs/dbraw/zinc/86/02/40/368860240.db2.gz	RRFPYIFDNAXEIT-UHFFFAOYSA-N	-2	0	292.222	2.397	20	5		CEBDRL
O=C(Nc1cccc(F)c1O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC001171632522	815201836	/nfs/dbraw/zinc/20/18/36/815201836.db2.gz	FBEVNJKZINBGRS-UHFFFAOYSA-N	-2	0	292.222	2.397	20	5		CEBDRL
O=C([O-])c1cc(Nc2ncc(F)cc2[O-])cc([N+](=O)[O-])c1	ZINC001176672593	816452951	/nfs/dbraw/zinc/45/29/51/816452951.db2.gz	KUJSXZPCBWHPAO-UHFFFAOYSA-N	-2	0	293.210	2.276	20	5		CEBDRL
O=C([O-])Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)cc1	ZINC000740712288	574965800	/nfs/dbraw/zinc/96/58/00/574965800.db2.gz	LSYRPHLUOUWSJJ-UHFFFAOYSA-N	-2	0	290.235	2.265	20	5		CEBDRL
O=C([O-])/C(=C/c1ccc([O-])c([N+](=O)[O-])c1)c1ccncc1	ZINC000739490371	574920760	/nfs/dbraw/zinc/92/07/60/574920760.db2.gz	MYMMOJGICRELMI-YRNVUSSQSA-N	-2	0	286.243	2.321	20	5		CEBDRL
O=C([O-])/C(=C\c1ccc([O-])c([N+](=O)[O-])c1)c1ccncc1	ZINC000739490368	574920846	/nfs/dbraw/zinc/92/08/46/574920846.db2.gz	MYMMOJGICRELMI-XFFZJAGNSA-N	-2	0	286.243	2.321	20	5		CEBDRL
O=C([O-])Nc1ccc(OC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1	ZINC000738668353	574873608	/nfs/dbraw/zinc/87/36/08/574873608.db2.gz	GZHGMDVYTZMFHM-UHFFFAOYSA-N	-2	0	291.219	2.232	20	5		CEBDRL
O=C([O-])/C(=C\c1ccc([N+](=O)[O-])c([O-])c1)c1ccncc1	ZINC000739491003	574920843	/nfs/dbraw/zinc/92/08/43/574920843.db2.gz	UJVGMVBYTSSDRE-XFFZJAGNSA-N	-2	0	286.243	2.321	20	5		CEBDRL
CSc1nc(O[C@H](C)C2=CC=C[CH]2)c([N+](=O)[O-])c(=O)[n-]1	ZINC001227624980	805960319	/nfs/dbraw/zinc/96/03/19/805960319.db2.gz	LRVQBHROXGOEII-SSDOTTSWSA-N	-2	0	294.312	2.280	20	5		CEBDRL
O=C(Nc1ccc(F)cc1[O-])c1ccc([N+](=O)[O-])cc1[O-]	ZINC000436899304	395161010	/nfs/dbraw/zinc/16/10/10/395161010.db2.gz	JWKQKVBXKVCCJK-UHFFFAOYSA-N	-2	0	292.222	2.397	20	5		CEBDRL
Cc1cc(=O)[nH]c(C=Cc2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC000436785566	395153229	/nfs/dbraw/zinc/15/32/29/395153229.db2.gz	VODDMENMDGIOKX-HWKANZROSA-N	-2	0	273.248	2.275	20	5		CEBDRL
O=C([O-])/C(=C\c1cc([O-])ccc1[N+](=O)[O-])c1ccncc1	ZINC000833164667	604772295	/nfs/dbraw/zinc/77/22/95/604772295.db2.gz	ZXJGMNJUAMFDFA-WQLSENKSSA-N	-2	0	286.243	2.321	20	5		CEBDRL