smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cccc(-c2ccc(C=C3SC(=O)[N-]C3=O)o2)c1	ZINC000003029889	425608961	/nfs/dbraw/zinc/60/89/61/425608961.db2.gz	QBZLYEDJIWHIEF-KPKJPENVSA-N	-2	1	315.306	2.969	50	10		DFCAML
Cn1[n-]c(C(F)(F)F)c(C=Nc2cc(Cl)ccc2[O-])c1=O	ZINC000100271366	426481423	/nfs/dbraw/zinc/48/14/23/426481423.db2.gz	YYHMXCNTSLVWBM-ALCCZGGFSA-N	-2	1	319.670	2.732	50	10		DFCAML
CC(C)n1cnc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1	ZINC000095464221	185371542	/nfs/dbraw/zinc/37/15/42/185371542.db2.gz	JOGSEWHFHAMASA-UHFFFAOYSA-N	-2	1	315.782	2.624	50	10		DFCAML
O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1cc(Cl)ccc1[O-]	ZINC000036622642	425845955	/nfs/dbraw/zinc/84/59/55/425845955.db2.gz	LPMLNSPSIATMAI-UHFFFAOYSA-N	-2	1	322.704	2.589	50	10		DFCAML