smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1nc(C=Cc2cc(Br)ccc2OCc2cccc3ccccc32)c([N+](=O)[O-])c([O-])[n-]1	ZINC000009235284	555009130	/nfs/dbraw/zinc/00/91/30/555009130.db2.gz	UGALBRWHQMXTTC-CSKARUKUSA-N	-2	3	494.301	4.637	50	5		JJBAHL
Cc1ccc(-c2n[n-]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002746264	554324107	/nfs/dbraw/zinc/32/41/07/554324107.db2.gz	YGJLXGZSLPRMFM-QHCPKHFHSA-N	-2	3	454.442	4.741	50	5		JJBAHL
Cc1ccc(-c2[n-]nc3c2[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002746264	554324109	/nfs/dbraw/zinc/32/41/09/554324109.db2.gz	YGJLXGZSLPRMFM-QHCPKHFHSA-N	-2	3	454.442	4.741	50	5		JJBAHL
Cc1ccc(-c2n[n-]c3c2[C@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002751174	554326419	/nfs/dbraw/zinc/32/64/19/554326419.db2.gz	ONJNAIYRFSGJRO-QHCPKHFHSA-N	-2	3	454.442	4.741	50	5		JJBAHL
Cc1ccc(-c2[n-]nc3c2[C@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002751174	554326420	/nfs/dbraw/zinc/32/64/20/554326420.db2.gz	ONJNAIYRFSGJRO-QHCPKHFHSA-N	-2	3	454.442	4.741	50	5		JJBAHL
Cc1ccc(-c2n[n-]c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002746265	554324074	/nfs/dbraw/zinc/32/40/74/554324074.db2.gz	YGJLXGZSLPRMFM-HSZRJFAPSA-N	-2	3	454.442	4.741	50	5		JJBAHL
Cc1ccc(-c2[n-]nc3c2[C@@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002746265	554324075	/nfs/dbraw/zinc/32/40/75/554324075.db2.gz	YGJLXGZSLPRMFM-HSZRJFAPSA-N	-2	3	454.442	4.741	50	5		JJBAHL
O=C([N-]c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1ccc([N+](=O)[O-])o1	ZINC000013306659	555375348	/nfs/dbraw/zinc/37/53/48/555375348.db2.gz	VVXPTXZBZATYJX-UHFFFAOYSA-N	-2	3	456.263	4.548	50	5		JJBAHL
Cc1ccc(-c2n[n-]c3c2[C@@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002751175	554326448	/nfs/dbraw/zinc/32/64/48/554326448.db2.gz	ONJNAIYRFSGJRO-HSZRJFAPSA-N	-2	3	454.442	4.741	50	5		JJBAHL
Cc1ccc(-c2[n-]nc3c2[C@@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002751175	554326449	/nfs/dbraw/zinc/32/64/49/554326449.db2.gz	ONJNAIYRFSGJRO-HSZRJFAPSA-N	-2	3	454.442	4.741	50	5		JJBAHL