smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cnc(C(=O)[O-])c([N+](=O)[O-])c1[O-]	39084570	573372098	/nfs/dbraw/zinc/37/20/98/573372098.db2.gz	DRDMYMKTSVHDIJ-UHFFFAOYSA-N	-2	1	198.134	0.290	10	5		ACBEML
CCCc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	104458841	167110180	/nfs/dbraw/zinc/11/01/80/167110180.db2.gz	JQTCVMAWZRUMFS-UHFFFAOYSA-N	-2	1	199.166	0.336	10	5		ACBEML
Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1[O-]	39084539	169284878	/nfs/dbraw/zinc/28/48/78/169284878.db2.gz	PWNGULISWBJOBB-UHFFFAOYSA-N	-2	1	198.134	0.581	10	5		ACBEML
Nc1ccc([O-])c([N+](=O)[O-])c1C(=O)[O-]	39084552	169292249	/nfs/dbraw/zinc/29/22/49/169292249.db2.gz	MMRREKVVPVAKSW-UHFFFAOYSA-N	-2	1	198.134	0.581	10	5		ACBEML
O=C([O-])Cc1cc([O-])cc([N+](=O)[O-])c1	95616523	171136746	/nfs/dbraw/zinc/13/67/46/171136746.db2.gz	XANCUXBTVGFTKK-UHFFFAOYSA-N	-2	1	197.146	0.928	10	5		ACBEML
O=C([O-])Cc1ccc([O-])cc1[N+](=O)[O-]	238692487	344819221	/nfs/dbraw/zinc/81/92/21/344819221.db2.gz	XZHWOUUDAFACKD-UHFFFAOYSA-N	-2	1	197.146	0.928	10	5		ACBEML
O=C([O-])c1cc([N+](=O)[O-])ncc1[O-]	300770683	344994534	/nfs/dbraw/zinc/99/45/34/344994534.db2.gz	PQNKCGZLGCDXNH-UHFFFAOYSA-N	-2	1	184.107	0.394	10	5		ACBEML
Nc1c(C(=O)[O-])ccc([N+](=O)[O-])c1[O-]	575718557	352897994	/nfs/dbraw/zinc/89/79/94/352897994.db2.gz	FDERJJVWRFGQSB-UHFFFAOYSA-N	-2	1	198.134	0.581	10	5		ACBEML
Nc1c([O-])ccc([N+](=O)[O-])c1C(=O)[O-]	575719254	352899975	/nfs/dbraw/zinc/89/99/75/352899975.db2.gz	QSLOPKSFOYISMJ-UHFFFAOYSA-N	-2	1	198.134	0.581	10	5		ACBEML
Nc1cc([N+](=O)[O-])c([O-])cc1C(=O)[O-]	575719215	352900148	/nfs/dbraw/zinc/90/01/48/352900148.db2.gz	PZCXYERPBIUZJF-UHFFFAOYSA-N	-2	1	198.134	0.581	10	5		ACBEML
Nc1ccc([N+](=O)[O-])c([O-])c1C(=O)[O-]	575719559	352900758	/nfs/dbraw/zinc/90/07/58/352900758.db2.gz	WOYQAWDTWVAEIA-UHFFFAOYSA-N	-2	1	198.134	0.581	10	5		ACBEML
Nc1cc([O-])cc(C(=O)[O-])c1[N+](=O)[O-]	575719595	352900837	/nfs/dbraw/zinc/90/08/37/352900837.db2.gz	YATUROURBLETPS-UHFFFAOYSA-N	-2	1	198.134	0.581	10	5		ACBEML