smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)n(-c2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccc(Cl)cc2)[n-]1	ZINC000005444957	560587611	/nfs/dbraw/zinc/58/76/11/560587611.db2.gz	BVTJRTILGIIIHP-UHFFFAOYSA-N	-2	1	408.823	3.162	50	5		HGBAML
Cn1ncc2c1[nH]c1c(oc3cc([O-])cc(=O)c31)c2-c1ccccc1OCC(=O)[O-]	ZINC000524734705	569213682	/nfs/dbraw/zinc/21/36/82/569213682.db2.gz	FLSTUZIWQDAUCE-UHFFFAOYSA-N	-2	1	405.366	3.409	50	5		HGBAML
O=c1nc(S)[n-]c2c1C(c1cccc([N+](=O)[O-])c1)c1c(=O)[nH]c([S-])nc1O2	ZINC000013786022	558868837	/nfs/dbraw/zinc/86/88/37/558868837.db2.gz	YQUTVYJZCJEZAE-UHFFFAOYSA-N	-2	1	403.401	3.197	50	5		HGBAML
Cc1c(Br)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	ZINC000084028337	568933281	/nfs/dbraw/zinc/93/32/81/568933281.db2.gz	WAXZTOWYRRGUSE-UHFFFAOYSA-N	-2	1	415.221	3.165	50	5		HGBAML
COc1ccc([O-])c(C(=O)c2cc(Cl)c3nc4cc(C(=O)[O-])ccc4c(=O)n3c2)c1	ZINC000014170924	558627426	/nfs/dbraw/zinc/62/74/26/558627426.db2.gz	MMJCFCRSVNFVEV-UHFFFAOYSA-N	-2	1	424.796	3.145	50	5		HGBAML
O=C([O-])c1ccc(Cl)c(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)o2)c1	ZINC000017056202	569272498	/nfs/dbraw/zinc/27/24/98/569272498.db2.gz	VHWVIHXKQPQXMO-ZZXKWVIFSA-N	-3	1	403.734	3.166	50	5		HGBAML
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cccc(C(=O)CCC(=O)[O-])c2)c1C	ZINC000079054870	569425861	/nfs/dbraw/zinc/42/58/61/569425861.db2.gz	WGNQUVQMBBOKAN-UHFFFAOYSA-N	-2	1	406.416	3.060	50	5		HGBAML
O=c1nc(S)[n-]c2c1C(c1ccc([N+](=O)[O-])cc1)c1c(=O)[nH]c([S-])nc1O2	ZINC000013799665	558881479	/nfs/dbraw/zinc/88/14/79/558881479.db2.gz	UYLYXNZSRMQYRO-UHFFFAOYSA-N	-2	1	403.401	3.197	50	5	in-vivo	HGBAML
O=C([O-])c1ccc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)o2)cc1Cl	ZINC000009187572	569391714	/nfs/dbraw/zinc/39/17/14/569391714.db2.gz	HXOAKJKRZHYZEY-ZZXKWVIFSA-N	-3	1	403.734	3.166	50	5		HGBAML