smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C(S(=O)(=O)[O-])=Cc2cc(S(=O)(=O)[O-])ccc2/C1=N\[O-]	ZINC000101150165	376532340	/nfs/dbraw/zinc/53/23/40/376532340.db2.gz	LCPJYACVLLZXPZ-PKNBQFBNSA-N	-3	0	333.299	-0.077	50	30		EBEARL
O=C1[N-]C(=S)NC(=O)C1=NNc1ccc(S(=O)(=O)[O-])cc1	ZINC000001952452	375879017	/nfs/dbraw/zinc/87/90/17/375879017.db2.gz	CWPHRGVZIYOQKI-UHFFFAOYSA-N	-2	0	328.331	-0.768	50	30		EBEARL
N#Cc1c(CC(=O)[O-])c(C(=O)[O-])sc1N(CC(=O)[O-])CC(=O)[O-]	ZINC000003924950	210093913	/nfs/dbraw/zinc/09/39/13/210093913.db2.gz	DJSXNILVACEBLP-UHFFFAOYSA-N	-4	0	342.285	-0.079	50	30	world	EBEARL
Cc1[n-]c(=O)c(C#N)cc1C(=O)N[C@@H]1COCC[C@@H]1OCC(=O)[O-]	ZINC000219083744	241364079	/nfs/dbraw/zinc/36/40/79/241364079.db2.gz	SKQFJZPJJWJMLL-NEPJUHHUSA-N	-2	0	335.316	-0.457	50	30		EBEARL
Cc1c(C#N)c(=O)n(CCO)c([O-])c1[NH+]=Nc1nc(C(=O)[O-])n[n-]1	ZINC000239174279	379103481	/nfs/dbraw/zinc/10/34/81/379103481.db2.gz	PRMPOQQYWWFBRZ-UHFFFAOYSA-N	-2	0	333.264	-0.042	50	30		EBEARL
CC(C)(C)C(=O)ON1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000004038785	278294651	/nfs/dbraw/zinc/29/46/51/278294651.db2.gz	PRAOKMFFBTXZKB-IUCAKERBSA-N	-2	0	330.337	-0.001	50	30	biogenic	EBEARL