smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCNS(=O)(=O)CCNC(=O)c1ccc([N+](=O)[O-])c(O)c1	ZINC000071890859	374245876	/nfs/dbraw/zinc/24/58/76/374245876.db2.gz	WHZZPMRMNZLWTR-UHFFFAOYSA-N	0	2	317.323	-0.031	50	5		DBBALN
CNc1ccc(S(=O)(=O)Nc2nnn(C)n2)cc1[N+](=O)[O-]	ZINC000127720472	374953313	/nfs/dbraw/zinc/95/33/13/374953313.db2.gz	LNSHYXPEQQLULH-UHFFFAOYSA-N	0	2	313.299	-0.039	50	5		DBBALN
COC1=C[C@@]2([N+](=O)[O-])C[N@H+](CC(=O)[O-])C[C@@]([N+](=O)[O-])(C1)C2	ZINC000002750540	292150901	/nfs/dbraw/zinc/15/09/01/292150901.db2.gz	DMEAVVQXFVHSJR-WDEREUQCSA-N	0	2	301.255	-0.258	50	5		DBBALN
COC1=C[C@@]2([N+](=O)[O-])C[N@@H+](CC(=O)[O-])C[C@@]([N+](=O)[O-])(C1)C2	ZINC000002750540	292150903	/nfs/dbraw/zinc/15/09/03/292150903.db2.gz	DMEAVVQXFVHSJR-WDEREUQCSA-N	0	2	301.255	-0.258	50	5		DBBALN