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-])[C@H](Cc1ccc([O-])c([N+](=O)[O-])c1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002555634	569409055	/nfs/dbraw/zinc/40/90/55/569409055.db2.gz	JZUZJVFERQWLNC-FQEVSTJZSA-N	-2	0	448.431	3.835	50	5		IHBARL
COc1cccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c1OCc1ccc(Cl)cc1	ZINC000015009313	557242535	/nfs/dbraw/zinc/24/25/35/557242535.db2.gz	GAWOOLVLADRLLB-JXMROGBWSA-N	-2	0	429.816	3.795	50	5		IHBARL
COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1OCc1c(F)cccc1Cl	ZINC000009234890	569514006	/nfs/dbraw/zinc/51/40/06/569514006.db2.gz	UCCWGEBVHZOMIN-SOFGYWHQSA-N	-2	0	447.806	3.934	50	5		IHBARL
O=C([O-])c1ccc(C(F)(F)C(F)(F)c2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000025504011	568661317	/nfs/dbraw/zinc/66/13/17/568661317.db2.gz	IODXUAPUXYLIES-UHFFFAOYSA-N	-2	0	432.238	3.783	50	5		IHBARL
O=C([O-])c1ccc(N[C@@H](CSCc2c(F)cccc2Cl)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000020805535	526379884	/nfs/dbraw/zinc/37/98/84/526379884.db2.gz	FSZXJGWFHOBDOF-AWEZNQCLSA-N	-2	0	428.825	3.884	50	5		IHBARL
Cc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1	ZINC000012508147	525247276	/nfs/dbraw/zinc/24/72/76/525247276.db2.gz	PDMAIMUFCVBEJJ-UHFFFAOYSA-N	-2	0	427.438	3.662	50	5		IHBARL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCc1ccc(F)cc1	ZINC000009234939	569294721	/nfs/dbraw/zinc/29/47/21/569294721.db2.gz	NKJIQFCFQDDNGV-UXBLZVDNSA-N	-2	0	427.388	3.671	50	5		IHBARL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCc1ccccc1F	ZINC000015009310	557189486	/nfs/dbraw/zinc/18/94/86/557189486.db2.gz	XJASSMYUYBQZJG-CSKARUKUSA-N	-2	0	427.388	3.671	50	5		IHBARL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCc1ccccc1Cl	ZINC000013482095	557231663	/nfs/dbraw/zinc/23/16/63/557231663.db2.gz	HKPFOOOCYPSNBT-CLFYSBASSA-N	-2	0	429.816	3.795	50	5		IHBARL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCc1ccc(Cl)cc1	ZINC000013482099	557231636	/nfs/dbraw/zinc/23/16/36/557231636.db2.gz	CCTIYJANASKVHL-UITAMQMPSA-N	-2	0	429.816	3.795	50	5		IHBARL
O=C([O-])c1ccc(N[C@H](CSCc2c(F)cccc2Cl)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000020805531	526379789	/nfs/dbraw/zinc/37/97/89/526379789.db2.gz	FSZXJGWFHOBDOF-CQSZACIVSA-N	-2	0	428.825	3.884	50	5		IHBARL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)c3ccc(Oc4cccc([N+](=O)[O-])c4)cc3C2=O)c1	ZINC000003144209	562932514	/nfs/dbraw/zinc/93/25/14/562932514.db2.gz	WXVRJSMFWYUKFE-UHFFFAOYSA-N	-2	0	448.343	3.584	50	5		IHBARL
O=C([O-])c1cc(C(=O)[O-])cc(N2C(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3C2=O)c1	ZINC000003144055	569440835	/nfs/dbraw/zinc/44/08/35/569440835.db2.gz	LSJHCOUZCILFBZ-UHFFFAOYSA-N	-2	0	448.343	3.584	50	5		IHBARL