smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(Br)cc1[C@@H]1C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)N1c1ccc(C)cc1C	ZINC000098049969	554170824	/nfs/dbraw/zinc/17/08/24/554170824.db2.gz	IJIJFHNKFMFXRQ-PKTZIBPZSA-N	0	1	550.365	4.735	10	5		KJBEMN
COc1ccc(Br)cc1[C@H]1C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)N1c1ccc(C)cc1C	ZINC000098049970	554170802	/nfs/dbraw/zinc/17/08/02/554170802.db2.gz	IJIJFHNKFMFXRQ-GOTSBHOMSA-N	0	1	550.365	4.735	10	5		KJBEMN
COc1ccc(Br)cc1[C@@H]1C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)N1c1ccc(C)cc1C	ZINC000098049971	554170806	/nfs/dbraw/zinc/17/08/06/554170806.db2.gz	IJIJFHNKFMFXRQ-DHIUTWEWSA-N	0	1	550.365	4.735	10	5		KJBEMN
COc1ccc(Br)cc1[C@H]1C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)N1c1ccc(C)cc1C	ZINC000098049972	554170814	/nfs/dbraw/zinc/17/08/14/554170814.db2.gz	IJIJFHNKFMFXRQ-XZOQPEGZSA-N	0	1	550.365	4.735	10	5		KJBEMN