smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccccc1[C@@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1	ZINC000032041469	568347374	/nfs/dbraw/zinc/34/73/74/568347374.db2.gz	NLZJGNRJYNKZDU-CQSZACIVSA-N	1	2	350.378	3.580	10	5		FHBELO
Cc1ccc2c(Nc3ncnc(N4CCCC4)c3[N+](=O)[O-])cccc2[nH+]1	ZINC000040609380	205074703	/nfs/dbraw/zinc/07/47/03/205074703.db2.gz	JQRJMNWMJGKLAN-UHFFFAOYSA-N	1	2	350.382	3.585	10	5		FHBELO
O=[N+]([O-])c1c(Nc2cccc(Cl)c2Cl)ncnc1-n1cc[nH+]c1	ZINC000040646789	205074905	/nfs/dbraw/zinc/07/49/05/205074905.db2.gz	REKQBVYFNBTVBV-UHFFFAOYSA-N	1	2	351.153	3.621	10	5		FHBELO
O=[N+]([O-])c1c(Nc2ccc(Cl)cc2Cl)ncnc1-n1cc[nH+]c1	ZINC000040650286	205075740	/nfs/dbraw/zinc/07/57/40/205075740.db2.gz	MPSHIVXHVACZTN-UHFFFAOYSA-N	1	2	351.153	3.621	10	5		FHBELO
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cnccc32)cc1	ZINC000005138686	207082857	/nfs/dbraw/zinc/08/28/57/207082857.db2.gz	JMHPKRCWQJFXNS-UHFFFAOYSA-N	1	2	364.430	3.898	10	5		FHBELO
O=[N+]([O-])c1c(NC(c2ccccc2)c2ccccc2)ncnc1-n1cc[nH+]c1	ZINC000040650678	208261028	/nfs/dbraw/zinc/26/10/28/208261028.db2.gz	SBRBODUAOYKWTJ-UHFFFAOYSA-N	1	2	372.388	3.772	10	5		FHBELO
Cc1ccccc1[C@H](C)NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1	ZINC000032041471	568347388	/nfs/dbraw/zinc/34/73/88/568347388.db2.gz	NLZJGNRJYNKZDU-AWEZNQCLSA-N	1	2	350.378	3.580	10	5		FHBELO