smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c([N-][NH+]=Cc2cc(Br)cc(C=NNc3nc4ccccc4n3C)c2[O-])nc2ccccc21	ZINC000008399385	553001078	/nfs/dbraw/zinc/00/10/78/553001078.db2.gz	KQSJFFMRHPXGKX-BMNRKXRESA-N	-1	3	517.391	4.820	10	30		KJEEHM
Cn1c([N-][NH+]=Cc2cc(Br)cc(C=[NH+][N-]c3nc4ccccc4n3C)c2[O-])nc2ccccc21	ZINC000008399385	553001075	/nfs/dbraw/zinc/00/10/75/553001075.db2.gz	KQSJFFMRHPXGKX-BMNRKXRESA-N	-1	3	517.391	4.820	10	30		KJEEHM
CCCCCCCCCCn1c(NN=Cc2cc(Br)ccc2[O-])nc2c1c(=O)[nH]c(=O)n2C	ZINC000102756294	555048963	/nfs/dbraw/zinc/04/89/63/555048963.db2.gz	MROPDPIBWSQZCG-MYYYXRDXSA-N	-1	3	519.444	4.890	10	30		KJEEHM
Cn1c([N-][NH+]=Cc2cc(Br)cc(C=NNc3nc4ccccc4n3C)c2[O-])nc2ccccc21	ZINC000252617336	572269038	/nfs/dbraw/zinc/26/90/38/572269038.db2.gz	KQSJFFMRHPXGKX-UHFFFAOYSA-N	-1	3	517.391	4.820	10	30		KJEEHM
Cn1c([N-][NH+]=Cc2cc(Br)cc(C=[NH+][N-]c3nc4ccccc4n3C)c2[O-])nc2ccccc21	ZINC000252617336	572269037	/nfs/dbraw/zinc/26/90/37/572269037.db2.gz	KQSJFFMRHPXGKX-UHFFFAOYSA-N	-1	3	517.391	4.820	10	30		KJEEHM
COc1ccc(Nc2nc(N=NCc3cccc([N+](=O)[O-])c3)nc([N-]c3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000253677589	562882780	/nfs/dbraw/zinc/88/27/80/562882780.db2.gz	AMDFQUOXDKUOMR-UHFFFAOYSA-N	-1	3	501.463	4.630	10	30		KJEEHM