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(CCN2CCC[C@@H]2c2nc3ccccc3s2)cc1	ZINC000051427775	567896145	/nfs/dbraw/zinc/89/61/45/567896145.db2.gz	YVQUOYCJKHHJRW-QGZVFWFLSA-N	0	3	353.447	4.584	50	5		FJBAHN
O=C1c2cc(C=Cc3ccccc3)c([N+](=O)[O-])cc2[N+]([O-])=C1c1ccccc1	ZINC000013403305	571323341	/nfs/dbraw/zinc/32/33/41/571323341.db2.gz	BHKGDKVRDXPUFI-QXMHVHEDSA-N	0	3	370.364	4.593	50	5		FJBAHN
O=[N+]([O-])c1cc2c(cc1C=Cc1ccccc1)C([O-])=C(c1ccccc1)[N+]2=O	ZINC000013403305	571323342	/nfs/dbraw/zinc/32/33/42/571323342.db2.gz	BHKGDKVRDXPUFI-QXMHVHEDSA-N	0	3	370.364	4.593	50	5		FJBAHN
O=[N+]([O-])c1ccc(CCN2CCC[C@H]2c2nc3ccccc3s2)cc1	ZINC000051427773	205183581	/nfs/dbraw/zinc/18/35/81/205183581.db2.gz	YVQUOYCJKHHJRW-KRWDZBQOSA-N	0	3	353.447	4.584	50	5		FJBAHN
O=[N+]([O-])c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000019823476	571327408	/nfs/dbraw/zinc/32/74/08/571327408.db2.gz	GLFYSHYMOLNWDD-UHFFFAOYSA-N	0	3	373.456	4.506	50	5		FJBAHN
O=C1c2cc(C=Cc3ccccc3)c([N+](=O)[O-])cc2[N+]([O-])=C1c1ccccc1	ZINC000003844590	571352679	/nfs/dbraw/zinc/35/26/79/571352679.db2.gz	BHKGDKVRDXPUFI-VAWYXSNFSA-N	0	3	370.364	4.593	50	5		FJBAHN
O=[N+]([O-])c1cc2c(cc1C=Cc1ccccc1)C([O-])=C(c1ccccc1)[N+]2=O	ZINC000003844590	571352680	/nfs/dbraw/zinc/35/26/80/571352680.db2.gz	BHKGDKVRDXPUFI-VAWYXSNFSA-N	0	3	370.364	4.593	50	5		FJBAHN
c1ccc(CN2CCN(c3nc4ccccc4c4ccccc43)CC2)cc1	ZINC000085859321	132199492	/nfs/dbraw/zinc/19/94/92/132199492.db2.gz	IIRYXZKXMAAGME-UHFFFAOYSA-N	0	3	353.469	4.710	50	5		FJBAHN
CCN(CC)Cc1cc2[nH]c3c(cnc4ccc(OC)cc34)c2cc1OC	ZINC000019909801	571308245	/nfs/dbraw/zinc/30/82/45/571308245.db2.gz	GIEVVDQDAGSEHT-UHFFFAOYSA-N	0	3	363.461	4.728	50	5		FJBAHN
CC1=C(CCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(C)(C)CCC1	ZINC000005091789	570583345	/nfs/dbraw/zinc/58/33/45/570583345.db2.gz	GYXNHFPTMAQNPH-UHFFFAOYSA-N	0	3	357.498	4.634	50	5		FJBAHN