smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1c([O-])c(C[NH2+]CCCO)cc(C[NH2+]CCCO)c1[O-]	ZINC000001560715	375876542	/nfs/dbraw/zinc/87/65/42/375876542.db2.gz	SHIDJFLKHHUKOP-UHFFFAOYSA-N	0	0	329.353	-0.050	40	10		EBCBRN
CCOC(=O)Cn1nnc(/N=N\c2nnn(CC(=O)OCC)n2)n1	ZINC000006547454	381860349	/nfs/dbraw/zinc/86/03/49/381860349.db2.gz	OUXVFWCEBYTGJJ-QXMHVHEDSA-N	0	0	338.288	-0.799	40	10		EBCBRN
Cn1c(N)c(/N=N/c2ccc(S(N)(=O)=O)cc2)c(=O)n(C)c1=O	ZINC000018126453	211982710	/nfs/dbraw/zinc/98/27/10/211982710.db2.gz	DXHQOEXYYLJONN-FOCLMDBBSA-N	0	0	338.349	-0.271	40	10	in-vitro	EBCBRN
CCOC(=O)CNC(=O)C([N+]#N)=C([O-])COc1ccccc1OC	ZINC000004934726	210328523	/nfs/dbraw/zinc/32/85/23/210328523.db2.gz	WOEDTGGRZBKTSH-UHFFFAOYSA-N	0	0	335.316	-0.007	40	10		EBCBRN
CCOC(=O)Cn1nnc(/N=N/c2nnn(CC(=O)OCC)n2)n1	ZINC000100573277	219101991	/nfs/dbraw/zinc/10/19/91/219101991.db2.gz	OUXVFWCEBYTGJJ-VAWYXSNFSA-N	0	0	338.288	-0.799	40	10		EBCBRN
Cn1c(N)c(/N=N\c2ccc(S(N)(=O)=O)cc2)c(=O)n(C)c1=O	ZINC000100136850	219092310	/nfs/dbraw/zinc/09/23/10/219092310.db2.gz	DXHQOEXYYLJONN-NXVVXOECSA-N	0	0	338.349	-0.271	40	10	in-vitro	EBCBRN