smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NC(=O)[C@@H](C)[N-]c2c([N+](=O)[O-])cc(C(=O)NC[C@H](O)CO)cc2[N+](=O)[O-])cc1	ZINC000027102748	563040029	/nfs/dbraw/zinc/04/00/29/563040029.db2.gz	QLRYHSVWHHPEHL-RISCZKNCSA-N	-1	1	477.430	1.034	1	5		JDBFMM
COC(=O)C(=C([O-])C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc2cc(C)c(C)cc2[nH]c1=O	ZINC000017214006	563013780	/nfs/dbraw/zinc/01/37/80/563013780.db2.gz	XJAJBFWPYSQCKP-QGZVFWFLSA-N	-1	1	468.422	1.921	1	5		JDBFMM
COc1ccc(NC(=O)[C@H](C)[N-]c2c([N+](=O)[O-])cc(C(=O)NC[C@H](O)CO)cc2[N+](=O)[O-])cc1	ZINC000027102752	563040017	/nfs/dbraw/zinc/04/00/17/563040017.db2.gz	QLRYHSVWHHPEHL-FZMZJTMJSA-N	-1	1	477.430	1.034	1	5		JDBFMM
COc1ccc(NC(=O)[C@H](C)[N-]c2c([N+](=O)[O-])cc(C(=O)NC[C@@H](O)CO)cc2[N+](=O)[O-])cc1	ZINC000027102744	563040073	/nfs/dbraw/zinc/04/00/73/563040073.db2.gz	QLRYHSVWHHPEHL-SMDDNHRTSA-N	-1	1	477.430	1.034	1	5		JDBFMM
COc1ccc(NC(=O)[C@@H](C)[N-]c2c([N+](=O)[O-])cc(C(=O)NC[C@@H](O)CO)cc2[N+](=O)[O-])cc1	ZINC000027102740	563040011	/nfs/dbraw/zinc/04/00/11/563040011.db2.gz	QLRYHSVWHHPEHL-BXUZGUMPSA-N	-1	1	477.430	1.034	1	5		JDBFMM
COC(=O)C(=C([O-])C(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1nc2cc(C)c(C)cc2[nH]c1=O	ZINC000017214009	563013818	/nfs/dbraw/zinc/01/38/18/563013818.db2.gz	XJAJBFWPYSQCKP-KRWDZBQOSA-N	-1	1	468.422	1.921	1	5		JDBFMM