smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)Nc1c(/C=N/[O-])cc(C(=O)[O-])cc1NC(N)=[NH2+]	ZINC000014944671	181976371	/nfs/dbraw/zinc/97/63/71/181976371.db2.gz	LUPXAHRVBCUICH-YIXHJXPBSA-N	-1	1	315.311	-0.130	1	30		DBEFMM
C[C@@H]1CCC(N=Nc2nn[nH]n2)c2ncc(C(=O)[O-])c(=O)n21	ZINC000040466062	183072860	/nfs/dbraw/zinc/07/28/60/183072860.db2.gz	AMOYXTMCUCKGGV-MQMMVLLVSA-N	-1	1	304.270	-0.374	1	30		DBEFMM
C=C[C@@H](Cn1cnc2c1nc(N)[nH]c2=O)OC[P@](=O)([O-])O	ZINC000005853074	181289626	/nfs/dbraw/zinc/28/96/26/181289626.db2.gz	ROSOTDMRFMYKGI-LURJTMIESA-N	-1	1	315.226	-0.592	1	30		DBEFMM
Cc1ccc(S(=O)(=O)N=C(N)c2[n-]c(=O)[nH]c2C#N)cc1	ZINC000064504085	184298436	/nfs/dbraw/zinc/29/84/36/184298436.db2.gz	OJCALEBLMUQOSW-UHFFFAOYSA-N	-1	1	305.319	-0.023	1	30		DBEFMM
C=CCn1c2c(nc(N)[n-]c2=O)n([C@H]2C=C[C@@H](CO)O2)c1=O	ZINC000003813685	181046146	/nfs/dbraw/zinc/04/61/46/181046146.db2.gz	AENHGOUCNKDGBX-JGVFFNPUSA-N	-1	1	305.294	-0.900	1	30		DBEFMM
C[C@H]1CCC(N=Nc2nn[nH]n2)c2ncc(C(=O)[O-])c(=O)n21	ZINC000040466065	183072595	/nfs/dbraw/zinc/07/25/95/183072595.db2.gz	AMOYXTMCUCKGGV-HUNBHSMMSA-N	-1	1	304.270	-0.374	1	30		DBEFMM