smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1c(CO)cnc(C)c1[O-]	ZINC000009662705	524641504	/nfs/dbraw/zinc/64/15/04/524641504.db2.gz	KMOCWKGGCTXNOH-FOKLQQMPSA-N	-2	3	487.494	2.752	10	30		JFEEHL
COc1ccccc1[N-]S(=O)(=O)c1ccc(N=NCc2c(CO)cnc(C)c2[O-])c([N+](=O)[O-])c1	ZINC000009562438	524644785	/nfs/dbraw/zinc/64/47/85/524644785.db2.gz	ZZXNWVBRSUVZOA-FOKLQQMPSA-N	-2	3	487.494	2.752	10	30		JFEEHL
COc1ccc(C(=O)CSc2nc(N=NCc3cc(OC)c([O-])cc3[N+](=O)[O-])n[n-]2)cc1	ZINC000020248070	555742456	/nfs/dbraw/zinc/74/24/56/555742456.db2.gz	OBHQZNPSTVSUFA-AWQFTUOYSA-N	-2	3	458.456	2.857	10	30		JFEEHL