smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c([O-])c2c(=O)c3ncnnc3nc-2n(C)c1=O	ZINC000136562425	372985256	/nfs/dbraw/zinc/98/52/56/372985256.db2.gz	JZPRYUOOOVAWPI-UHFFFAOYSA-N	-1	0	260.213	-1.324	50	5		CABARM
Cn1c(=O)c2c([O-])c([N+](=O)[O-])c(O)nc2n(C)c1=O	ZINC000003998392	374142887	/nfs/dbraw/zinc/14/28/87/374142887.db2.gz	CXFMBXVUUMAZJG-UHFFFAOYSA-N	-1	0	268.185	-1.048	50	5		CABARM
C[N+](C)(C)CCOC(=O)C(O)(CC(=O)[O-])CC(=O)[O-]	ZINC000071791716	176263604	/nfs/dbraw/zinc/26/36/04/176263604.db2.gz	FRNDYIKVKURGSD-UHFFFAOYSA-O	-1	0	278.281	-1.084	50	5		CABARM
Cn1c(=O)c([N+](=O)[O-])c([O-])c2c(=O)n(C)c(=O)n(C)c21	ZINC000015923686	372791665	/nfs/dbraw/zinc/79/16/65/372791665.db2.gz	GFHYTCBKYCUJCO-UHFFFAOYSA-N	-1	0	282.212	-1.450	50	5		CABARM
Cc1nnc2nc3n(C)c(=O)n(C)c([O-])c-3c(=O)c2n1	ZINC000108805790	186231662	/nfs/dbraw/zinc/23/16/62/186231662.db2.gz	YKJHVHKJKQMDBF-UHFFFAOYSA-N	-1	0	274.240	-1.016	50	5		CABARM
COC(=O)c1nn[n-]c1C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000100832930	277172207	/nfs/dbraw/zinc/17/22/07/277172207.db2.gz	WRDVFRGABGFVSM-UHFFFAOYSA-N	-1	0	276.121	-1.468	50	5		CABARM