smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)NN=c2[n-]c(-c3ccc(Cl)cc3)no2)cc1NC(=O)[O-]	ZINC000830225135	602924380	/nfs/dbraw/zinc/92/43/80/602924380.db2.gz	GHWSDJLJRDHMAN-UHFFFAOYSA-N	-2	0	387.783	3.545	20	50		GHGDRL
O=C([O-])c1ccccc1-c1ccc(C=NNC(=O)c2ccc([O-])c(Cl)c2)o1	ZINC000739453109	978636682	/nfs/dbraw/zinc/63/66/82/978636682.db2.gz	CYXRYLGTKPOCLX-UHFFFAOYSA-N	-2	0	384.775	3.768	20	50		GHGDRL
O=C([O-])c1ccc(-c2ccc(C=NNC(=O)c3ccc([O-])c(Cl)c3)o2)cc1	ZINC000738678472	978585983	/nfs/dbraw/zinc/58/59/83/978585983.db2.gz	GWBPUOZVOLZAED-UHFFFAOYSA-N	-2	0	384.775	3.768	20	50		GHGDRL
O=C([O-])c1ccccc1NC(=O)N[N-]C(=O)c1sc2ccccc2c1Cl	ZINC001594780603	953627692	/nfs/dbraw/zinc/62/76/92/953627692.db2.gz	YYSNEBXGQLSPPK-UHFFFAOYSA-N	-2	0	389.820	3.719	20	50		GHGDRL
O=C([O-])Nc1ccc(C(=O)NN=c2[n-]c(C(F)(F)F)cs2)c(Cl)c1	ZINC000832839191	603483126	/nfs/dbraw/zinc/48/31/26/603483126.db2.gz	SIBSJWHIMDWPRG-UHFFFAOYSA-N	-2	0	380.735	3.662	20	50		GHGDRL