smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+]1Cc2ccccc2[C@@H]1C[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000072105146	176316214	/nfs/dbraw/zinc/31/62/14/176316214.db2.gz	VKFHOFPVMOYWOW-IRXDYDNUSA-N	1	1	298.342	3.205	1	5		CGBFMO
Cc1ccc([N+](=O)[O-])cc1Nc1[nH]cc(-c2cccnc2)[nH+]1	ZINC000040406052	174254184	/nfs/dbraw/zinc/25/41/84/174254184.db2.gz	DWOGHMRUJNMJPM-UHFFFAOYSA-N	1	1	295.302	3.432	1	5		CGBFMO
C[N@H+]1Cc2ccccc2[C@@H]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000072106500	176316634	/nfs/dbraw/zinc/31/66/34/176316634.db2.gz	VKFHOFPVMOYWOW-DLBZAZTESA-N	1	1	298.342	3.205	1	5		CGBFMO
C[N@H+]1Cc2ccccc2[C@H]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000072104835	176315894	/nfs/dbraw/zinc/31/58/94/176315894.db2.gz	VKFHOFPVMOYWOW-IAGOWNOFSA-N	1	1	298.342	3.205	1	5		CGBFMO
C[N@H+]1Cc2ccccc2[C@H]1C[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000072106096	176316460	/nfs/dbraw/zinc/31/64/60/176316460.db2.gz	VKFHOFPVMOYWOW-SJORKVTESA-N	1	1	298.342	3.205	1	5		CGBFMO
O=[N+]([O-])c1ccc(-c2c[nH]c(NC3CCCC3)[nH+]2)cc1	ZINC000072112094	176317856	/nfs/dbraw/zinc/31/78/56/176317856.db2.gz	NHVFKSDFVKJNDD-UHFFFAOYSA-N	1	1	272.308	3.339	1	5		CGBFMO
CCCCNc1[nH]cc(-c2ccc([N+](=O)[O-])cc2)[nH+]1	ZINC000072108599	176317085	/nfs/dbraw/zinc/31/70/85/176317085.db2.gz	PVQNQCIYVQMYTD-UHFFFAOYSA-N	1	1	260.297	3.197	1	5		CGBFMO
O=[N+]([O-])c1cccc(Nc2[nH]cc(-c3cccnc3)[nH+]2)c1	ZINC000040409257	174254146	/nfs/dbraw/zinc/25/41/46/174254146.db2.gz	VFNYHVFCZSEFNV-UHFFFAOYSA-N	1	1	281.275	3.124	1	5		CGBFMO
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C1=CC[N@@H+](C)CC1	ZINC000045193566	175326824	/nfs/dbraw/zinc/32/68/24/175326824.db2.gz	PEYXKGITJQNPHD-UHFFFAOYSA-N	1	1	271.320	3.103	1	5		CGBFMO
CC(C)CNc1[nH]cc(-c2ccc([N+](=O)[O-])cc2)[nH+]1	ZINC000072142497	176323746	/nfs/dbraw/zinc/32/37/46/176323746.db2.gz	PASBZYOOKURVRA-UHFFFAOYSA-N	1	1	260.297	3.053	1	5		CGBFMO