smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(O)c(/C=N/c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000020458955	182220221	/nfs/dbraw/zinc/22/02/21/182220221.db2.gz	JPGDTQYFKRXXJL-VGOFMYFVSA-N	-1	2	303.230	2.665	50	30		DFEALM
O=C([O-])[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1	ZINC000003125078	425610371	/nfs/dbraw/zinc/61/03/71/425610371.db2.gz	AVJQKGCBGLHFRI-FSEGOYHTSA-N	-1	2	300.270	2.545	50	30		DFEALM
[O-]/N=C(/c1nonc1/C(=N/O)c1ccccc1)c1ccccc1	ZINC000004535791	181120694	/nfs/dbraw/zinc/12/06/94/181120694.db2.gz	KRWKSVJLWIAYIS-HBKJEHTGSA-N	-1	2	308.297	2.523	50	30		DFEALM
O=C([O-])c1ccc(C/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1	ZINC000004690767	181137042	/nfs/dbraw/zinc/13/70/42/181137042.db2.gz	RDZIONMOXNVTBX-CXUHLZMHSA-N	-1	2	300.270	2.618	50	30		DFEALM
C#Cc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1	ZINC000037238923	425847787	/nfs/dbraw/zinc/84/77/87/425847787.db2.gz	WGUBAGIJLRBDGS-UHFFFAOYSA-N	-1	2	321.379	2.537	50	30		DFEALM
O=[N+]([O-])c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])c(O)c1	ZINC000005568338	181258462	/nfs/dbraw/zinc/25/84/62/181258462.db2.gz	BUIYECCAUPUSOV-VGOFMYFVSA-N	-1	2	303.230	2.665	50	30		DFEALM
O=C([O-])[C@H](/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccccc1	ZINC000104200976	257273052	/nfs/dbraw/zinc/27/30/52/257273052.db2.gz	AVJQKGCBGLHFRI-SLVCOGOPSA-N	-1	2	300.270	2.545	50	30		DFEALM
Cc1oc(/N=C/c2cc([N+](=O)[O-])c([O-])cc2O)c(C#N)c1C	ZINC000005792535	302867701	/nfs/dbraw/zinc/86/77/01/302867701.db2.gz	SVUVMESFPUMFTM-OMCISZLKSA-N	-1	2	301.258	2.838	50	30		DFEALM
O=[N+]([O-])c1ccc(/N=C/c2ccc([N+](=O)[O-])cc2O)c([O-])c1	ZINC000100456781	426482078	/nfs/dbraw/zinc/48/20/78/426482078.db2.gz	IFMFRKOABPCSRY-VGOFMYFVSA-N	-1	2	303.230	2.665	50	30		DFEALM
O=C([O-])[C@@H](/N=C\c1cc([N+](=O)[O-])ccc1O)c1ccccc1	ZINC000104200971	257272953	/nfs/dbraw/zinc/27/29/53/257272953.db2.gz	AVJQKGCBGLHFRI-CIKBWMHTSA-N	-1	2	300.270	2.545	50	30		DFEALM
O=C([O-])[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1	ZINC000003125080	180983656	/nfs/dbraw/zinc/98/36/56/180983656.db2.gz	AVJQKGCBGLHFRI-BRYYZUPOSA-N	-1	2	300.270	2.545	50	30		DFEALM