smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1c([O-])cc(O)cc1[O-]	157925	342929299	/nfs/dbraw/zinc/92/92/99/342929299.db2.gz	QSVQZFVXAUGEMT-UHFFFAOYSA-N	-2	3	171.108	0.712	50	5	in-vitro	ACBAHL
Nc1cc([N+](=O)[O-])c([O-])cc1[O-]	21300682	169288995	/nfs/dbraw/zinc/28/89/95/169288995.db2.gz	SENSPHQXKYKAHQ-UHFFFAOYSA-N	-2	3	170.124	0.588	50	5		ACBAHL
O=C([O-])c1cc([N+](=O)[O-])c[n-]c1=O	8698233	169356744	/nfs/dbraw/zinc/35/67/44/169356744.db2.gz	JVLVOEQOJYFQKR-UHFFFAOYSA-N	-2	3	184.107	0.394	50	5	in-vitro	ACBAHL
O=C([O-])c1ccc([O-])cc1[N+](=O)[O-]	40443067	169358533	/nfs/dbraw/zinc/35/85/33/169358533.db2.gz	FNDZIIJCKXGZJA-UHFFFAOYSA-N	-2	3	183.119	0.999	50	5	in-vitro	ACBAHL
Cc1[n-]c(=O)c(C(=O)[O-])cc1[N+](=O)[O-]	15021964	343041500	/nfs/dbraw/zinc/04/15/00/343041500.db2.gz	NUVZYXLETRLZFB-UHFFFAOYSA-N	-2	3	198.134	0.290	50	5		ACBAHL
Cc1cc([O-])c([N+](=O)[O-])c(=O)[n-]1	16267815	343043588	/nfs/dbraw/zinc/04/35/88/343043588.db2.gz	QIKWTNPFTOEELW-UHFFFAOYSA-N	-2	3	170.124	0.297	50	5	in-vitro	ACBAHL
Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(=O)[n-]1	82384684	343599809	/nfs/dbraw/zinc/59/98/09/343599809.db2.gz	DPHIJIKDXJKLLR-UHFFFAOYSA-N	-2	3	198.134	0.702	50	5	in-vitro	ACBAHL