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(C2N3CCCC[C@@H]3[C@H]3CCCC[N@H+]23)cc1	ZINC000019328936	431618472	/nfs/dbraw/zinc/61/84/72/431618472.db2.gz	LRKQAQJZDSNPOL-HZPDHXFCSA-N	1	1	301.390	3.316	40	5		DGBBMO
O=[N+]([O-])c1ccc(C2N3CCCC[C@@H]3[C@H]3CCCC[N@@H+]23)cc1	ZINC000019328936	431618480	/nfs/dbraw/zinc/61/84/80/431618480.db2.gz	LRKQAQJZDSNPOL-HZPDHXFCSA-N	1	1	301.390	3.316	40	5		DGBBMO
C[NH+](C)/C=C/c1cc(Br)c2ncccc2c1[N+](=O)[O-]	ZINC000072220785	257124602	/nfs/dbraw/zinc/12/46/02/257124602.db2.gz	ZJVZRQAEGNIBPC-FNORWQNLSA-N	1	1	322.162	3.438	40	5		DGBBMO
C[C@H]1CCCCC[N@H+]1CCCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001671200	431236081	/nfs/dbraw/zinc/23/60/81/431236081.db2.gz	UELWWMDNEKMJIH-AWEZNQCLSA-N	1	1	320.389	3.406	40	5		DGBBMO
O=[N+]([O-])c1ccc(C2N3CCCC[C@@H]3[C@@H]3CCCC[N@H+]23)cc1	ZINC000019320909	431619754	/nfs/dbraw/zinc/61/97/54/431619754.db2.gz	LRKQAQJZDSNPOL-SJPCQFCGSA-N	1	1	301.390	3.316	40	5		DGBBMO
O=[N+]([O-])c1ccc(C2N3CCCC[C@@H]3[C@@H]3CCCC[N@@H+]23)cc1	ZINC000019320909	431619764	/nfs/dbraw/zinc/61/97/64/431619764.db2.gz	LRKQAQJZDSNPOL-SJPCQFCGSA-N	1	1	301.390	3.316	40	5		DGBBMO
O=[N+]([O-])c1ccc(C2N3CCCC[C@H]3[C@H]3CCCC[N@H+]23)cc1	ZINC000019320909	431619768	/nfs/dbraw/zinc/61/97/68/431619768.db2.gz	LRKQAQJZDSNPOL-SJPCQFCGSA-N	1	1	301.390	3.316	40	5		DGBBMO
O=[N+]([O-])c1ccc(C2N3CCCC[C@H]3[C@H]3CCCC[N@@H+]23)cc1	ZINC000019320909	431619774	/nfs/dbraw/zinc/61/97/74/431619774.db2.gz	LRKQAQJZDSNPOL-SJPCQFCGSA-N	1	1	301.390	3.316	40	5		DGBBMO
COc1ccc2c(c1)CCCN2C(=[NH2+])c1ccc([N+](=O)[O-])cc1	ZINC000001683824	431237496	/nfs/dbraw/zinc/23/74/96/431237496.db2.gz	FTULKVCJQLXFKU-UHFFFAOYSA-N	1	1	311.341	3.382	40	5		DGBBMO
CCC[N@H+]1CCCC[C@H]1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C	ZINC000077311860	431582961	/nfs/dbraw/zinc/58/29/61/431582961.db2.gz	KRANSHYISPICMC-HNNXBMFYSA-N	1	1	319.405	3.415	40	5	in-vitro	DGBBMO
O=[N+]([O-])c1ccc([C@H](O)CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1	ZINC000001615860	431232925	/nfs/dbraw/zinc/23/29/25/431232925.db2.gz	XRBKXMOUFWSFIF-GRDNDAEWSA-N	1	1	304.390	3.140	40	5		DGBBMO
CCC[NH+](CCC)CCc1nnc(-c2cccc([N+](=O)[O-])c2)[nH]1	ZINC000062719543	257128879	/nfs/dbraw/zinc/12/88/79/257128879.db2.gz	KGAVBSQYZIJKCT-UHFFFAOYSA-N	1	1	317.393	3.044	40	5		DGBBMO
C[C@@H]1CCCCC[N@H+]1CCCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000004791872	181152608	/nfs/dbraw/zinc/15/26/08/181152608.db2.gz	UELWWMDNEKMJIH-CQSZACIVSA-N	1	1	320.389	3.406	40	5		DGBBMO
O=[N+]([O-])c1ccc([C@@H](O)CC[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1	ZINC000004934872	181174945	/nfs/dbraw/zinc/17/49/45/181174945.db2.gz	XRBKXMOUFWSFIF-ZQIUZPCESA-N	1	1	304.390	3.140	40	5		DGBBMO
CCC[NH+](CCC)CCc1nnc(-c2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000062719539	257128761	/nfs/dbraw/zinc/12/87/61/257128761.db2.gz	MPBMFRXQJIWUMZ-UHFFFAOYSA-N	1	1	317.393	3.044	40	5		DGBBMO