smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2ON=C(c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	ZINC000103561504	560843189	/nfs/dbraw/zinc/84/31/89/560843189.db2.gz	VHNIXYXGZOURIT-HOCLYGCPSA-N	-1	2	412.314	1.804	50	5		HDBALM
COc1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)c([N+](=O)[O-])c1	ZINC000096319107	568727541	/nfs/dbraw/zinc/72/75/41/568727541.db2.gz	HGVNARFXSKVIIP-UHFFFAOYSA-N	-1	2	410.360	1.874	50	5		HDBALM
COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000023393015	559173609	/nfs/dbraw/zinc/17/36/09/559173609.db2.gz	RNUCMVSKTJMLBC-UHFFFAOYSA-N	-1	2	409.376	1.219	50	5		HDBALM