smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)NN2CCS(=O)CC2)cc1	ZINC000002584156	204044998	/nfs/dbraw/zinc/04/49/98/204044998.db2.gz	PFBAWUKFRFXSQF-UHFFFAOYSA-N	-1	1	374.444	-0.183	50	30		FBEAMM
Cc1[nH][n-]c(=O)c1N=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000012413089	207372153	/nfs/dbraw/zinc/37/21/53/207372153.db2.gz	AMRXVUBGPYENRQ-UHFFFAOYSA-N	-1	1	351.388	-0.019	50	30		FBEAMM
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C([O-])=C1C(=O)NC(=S)NC1=O	ZINC000198723450	485232081	/nfs/dbraw/zinc/23/20/81/485232081.db2.gz	RMJGFMZWJASELM-UHFFFAOYSA-N	-1	1	361.295	-0.879	50	30		FBEAMM
C[C@]1(NC(=O)CCN2CCCCC2)CS(=O)(=O)C[C@@H]1S(=O)(=O)[O-]	ZINC000334158257	525287890	/nfs/dbraw/zinc/28/78/90/525287890.db2.gz	BQEFBVJPSWBEGM-AAEUAGOBSA-P	-1	1	369.485	-0.020	50	30		FBEAMM
C[C@]1(NC(=O)CCN2CCCCC2)CS(=O)(=O)C[C@H]1S(=O)(=O)[O-]	ZINC000334158258	525288238	/nfs/dbraw/zinc/28/82/38/525288238.db2.gz	BQEFBVJPSWBEGM-YPMHNXCESA-P	-1	1	369.485	-0.020	50	30		FBEAMM