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-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1N1CCN(C2CCCC2)CC1	ZINC001165027954	721856370	/nfs/dbraw/zinc/85/63/70/721856370.db2.gz	DQUDWJFRSBAFFX-UHFFFAOYSA-N	0	1	420.872	4.639	20	5		HJBDMN
Cc1nc(CN2CCCC23CCN(c2ccc4cccc([N+](=O)[O-])c4n2)CC3)cs1	ZINC001164692522	719807951	/nfs/dbraw/zinc/80/79/51/719807951.db2.gz	ISNPYXXCBAJPLA-UHFFFAOYSA-N	0	1	423.542	4.543	20	5		HJBDMN
O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1	ZINC001164997263	722204621	/nfs/dbraw/zinc/20/46/21/722204621.db2.gz	XVHGCHFRFILJGL-HSZRJFAPSA-N	0	1	406.461	4.527	20	5		HJBDMN
Cc1nc(CN2CCCC23CCN(c2nccc4cc([N+](=O)[O-])ccc42)CC3)cs1	ZINC001164702488	719816744	/nfs/dbraw/zinc/81/67/44/719816744.db2.gz	RNGKICYKGRTZTJ-UHFFFAOYSA-N	0	1	423.542	4.543	20	5		HJBDMN
Cc1nc(CN2CCCC23CCN(c2ccc4c(cccc4[N+](=O)[O-])n2)CC3)cs1	ZINC001164694464	719807942	/nfs/dbraw/zinc/80/79/42/719807942.db2.gz	YIVJDCVBIRSQGG-UHFFFAOYSA-N	0	1	423.542	4.543	20	5		HJBDMN
Cc1nc(CN2CCCC23CCN(c2ccc4ccc([N+](=O)[O-])cc4n2)CC3)cs1	ZINC001164693899	719807505	/nfs/dbraw/zinc/80/75/05/719807505.db2.gz	SCYCRWAWCUXFAC-UHFFFAOYSA-N	0	1	423.542	4.543	20	5		HJBDMN
Cc1nc(CN2CCCC23CCN(c2ncc([N+](=O)[O-])c4ccccc42)CC3)cs1	ZINC001164694036	719807633	/nfs/dbraw/zinc/80/76/33/719807633.db2.gz	UCFYCQRAOAVNFR-UHFFFAOYSA-N	0	1	423.542	4.543	20	5		HJBDMN
O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1	ZINC001164997264	722204583	/nfs/dbraw/zinc/20/45/83/722204583.db2.gz	XVHGCHFRFILJGL-QHCPKHFHSA-N	0	1	406.461	4.527	20	5		HJBDMN
Cc1nc(CN2CCCC23CCN(c2nc4ccccc4cc2[N+](=O)[O-])CC3)cs1	ZINC001164691539	719811022	/nfs/dbraw/zinc/81/10/22/719811022.db2.gz	GPCKCFYIFIADQW-UHFFFAOYSA-N	0	1	423.542	4.543	20	5		HJBDMN
Cc1nc(CN2CCCC23CCN(c2nccc4ccc([N+](=O)[O-])cc42)CC3)cs1	ZINC001164693828	719812749	/nfs/dbraw/zinc/81/27/49/719812749.db2.gz	YWXCLNMVFPWUKN-UHFFFAOYSA-N	0	1	423.542	4.543	20	5		HJBDMN