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(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Cl)cc2)cc1	ZINC000002269132	554126101	/nfs/dbraw/zinc/12/61/01/554126101.db2.gz	RSCBGPJKQPHBAF-UHFFFAOYSA-N	-1	2	455.883	4.736	50	5		JJBALM
Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002746264	554324105	/nfs/dbraw/zinc/32/41/05/554324105.db2.gz	YGJLXGZSLPRMFM-QHCPKHFHSA-N	-1	2	454.442	4.741	50	5		JJBALM
Cc1ccc(-c2n[nH]c3c2[C@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002751174	554326416	/nfs/dbraw/zinc/32/64/16/554326416.db2.gz	ONJNAIYRFSGJRO-QHCPKHFHSA-N	-1	2	454.442	4.741	50	5		JJBALM
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002746265	554324072	/nfs/dbraw/zinc/32/40/72/554324072.db2.gz	YGJLXGZSLPRMFM-HSZRJFAPSA-N	-1	2	454.442	4.741	50	5		JJBALM
CCOC(=O)c1ccc([N-]c2nc(Nc3ccc(C(=O)OCC)cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000009554204	555350736	/nfs/dbraw/zinc/35/07/36/555350736.db2.gz	GZQDEONZRKTOJJ-UHFFFAOYSA-N	-1	2	495.448	4.739	50	5		JJBALM
Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cc([N+](=O)[O-])ccc1[O-]	ZINC000100190968	569755044	/nfs/dbraw/zinc/75/50/44/569755044.db2.gz	ZBAVVGZRHSVKGD-UHFFFAOYSA-N	-1	2	497.511	4.880	50	5		JJBALM
Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc([N+](=O)[O-])c2)N(c2ccc(C(=O)[O-])cc2)C3=O)cc1	ZINC000002751175	554326445	/nfs/dbraw/zinc/32/64/45/554326445.db2.gz	ONJNAIYRFSGJRO-HSZRJFAPSA-N	-1	2	454.442	4.741	50	5		JJBALM
Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000008440927	569590116	/nfs/dbraw/zinc/59/01/16/569590116.db2.gz	WRRFXZYQZFHEOL-UHFFFAOYSA-N	-1	2	497.511	4.880	50	5		JJBALM
Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000100915572	569775629	/nfs/dbraw/zinc/77/56/29/569775629.db2.gz	HWFOEHZXLJCFEK-UHFFFAOYSA-N	-1	2	497.511	4.880	50	5		JJBALM