smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2ccc([N+](=O)[O-])cc2nc1CCCC(=O)[O-]	ZINC000000814389	359089736	/nfs/dbraw/zinc/08/97/36/359089736.db2.gz	SWYGVZPCQZGGPU-UHFFFAOYSA-N	-1	0	263.253	1.889	30	5		CDBCRM
O=Cc1cc(I)cc([N+](=O)[O-])c1[O-]	ZINC000004290807	304724417	/nfs/dbraw/zinc/72/44/17/304724417.db2.gz	GSSIRXFFASLEMZ-UHFFFAOYSA-N	-1	0	293.016	1.718	30	5		CDBCRM
COC(=O)C=C([O-])c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000002575900	169812369	/nfs/dbraw/zinc/81/23/69/169812369.db2.gz	SOHKPNAQHJJVFA-UHFFFAOYSA-N	-1	0	257.629	1.994	30	5		CDBCRM
CCOC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(=O)[n-]1	ZINC000036533607	362179809	/nfs/dbraw/zinc/17/98/09/362179809.db2.gz	LBHXUHQWERTKSZ-UHFFFAOYSA-N	-1	0	278.224	1.058	30	5		CDBCRM
C[C@@H](Nc1c2ccccc2oc(=O)c1[N+](=O)[O-])C(=O)[O-]	ZINC000004298620	360841434	/nfs/dbraw/zinc/84/14/34/360841434.db2.gz	STIDGXKGGFIEQS-ZCFIWIBFSA-N	-1	0	278.220	1.586	30	5		CDBCRM
C[C@H](Nc1c2ccccc2oc(=O)c1[N+](=O)[O-])C(=O)[O-]	ZINC000004298619	169955120	/nfs/dbraw/zinc/95/51/20/169955120.db2.gz	STIDGXKGGFIEQS-LURJTMIESA-N	-1	0	278.220	1.586	30	5		CDBCRM
CCOC(=O)c1ccc([N+](=O)[O-])cc1CC(=O)[O-]	ZINC000214474982	1175810672	/nfs/dbraw/zinc/81/06/72/1175810672.db2.gz	VVFBQYHRHLVHLZ-UHFFFAOYSA-N	-1	0	253.210	1.399	30	5		CDBCRM