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(F)cccc1[S-]	238550088	573873060	/nfs/dbraw/zinc/87/30/60/573873060.db2.gz	HSCLGEBILUEIQN-UHFFFAOYSA-N	-1	0	173.168	2.023	40	5		AEBBRM
O=[N+]([O-])c1c([O-])ccc2c1CCCC2	21965164	171041324	/nfs/dbraw/zinc/04/13/24/171041324.db2.gz	UJZAWUHOEZMHNT-UHFFFAOYSA-N	-1	0	193.202	2.179	40	5		AEBBRM
O=[N+]([O-])c1cc2ccccc2cc1[O-]	71256626	171106742	/nfs/dbraw/zinc/10/67/42/171106742.db2.gz	MUELWRJOJXBHPA-UHFFFAOYSA-N	-1	0	189.170	2.454	40	5		AEBBRM
O=[N+]([O-])c1cc(Cl)cc(F)c1[O-]	34370430	171217018	/nfs/dbraw/zinc/21/70/18/171217018.db2.gz	BTEQJDAZDBLPHU-UHFFFAOYSA-N	-1	0	191.545	2.093	40	5		AEBBRM
CC(C)c1ccc([N+](=O)[O-])c([O-])c1	34224531	343114119	/nfs/dbraw/zinc/11/41/19/343114119.db2.gz	QJJGPZTVVISLNI-UHFFFAOYSA-N	-1	0	181.191	2.424	40	5		AEBBRM
Cc1c(Cl)ccc([O-])c1[N+](=O)[O-]	38611070	343189768	/nfs/dbraw/zinc/18/97/68/343189768.db2.gz	CPLAVZOCFVGOGO-UHFFFAOYSA-N	-1	0	187.582	2.262	40	5		AEBBRM
O=[N+]([O-])c1cccc2oc(=S)[n-]c12	71981118	518203126	/nfs/dbraw/zinc/20/31/26/518203126.db2.gz	ONAAWIBLPPKLTQ-UHFFFAOYSA-N	-1	0	196.187	2.025	40	5		AEBBRM