smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1	ZINC000223652959	568876294	/nfs/dbraw/zinc/87/62/94/568876294.db2.gz	FMSDMAKZXAMBNR-UHFFFAOYSA-N	0	2	448.884	5.158	40	5		IKBBLN
COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000223644521	568876016	/nfs/dbraw/zinc/87/60/16/568876016.db2.gz	SLCPRYZNLVNONC-UHFFFAOYSA-N	0	2	448.884	5.158	40	5		IKBBLN
COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000223653005	568876258	/nfs/dbraw/zinc/87/62/58/568876258.db2.gz	YVCCOYAZQQCBOO-UHFFFAOYSA-N	0	2	448.884	5.158	40	5		IKBBLN
COC(=S)Nc1ccc2c(c1)nc(-c1ccccc1)c1cc(NC(=S)OC)ccc21	ZINC000001866257	555721959	/nfs/dbraw/zinc/72/19/59/555721959.db2.gz	UNFFHJCDDQUUFZ-UHFFFAOYSA-N	0	2	433.558	5.741	40	5		IKBBLN
COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000223652623	568876233	/nfs/dbraw/zinc/87/62/33/568876233.db2.gz	YXFVUCZNOHWAGX-UHFFFAOYSA-N	0	2	448.884	5.158	40	5		IKBBLN
COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000223644449	568875997	/nfs/dbraw/zinc/87/59/97/568875997.db2.gz	ICFYGYTXTUJNBA-UHFFFAOYSA-N	0	2	448.884	5.158	40	5		IKBBLN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1SCc1ccc(Cl)cc1	ZINC000013674505	527405590	/nfs/dbraw/zinc/40/55/90/527405590.db2.gz	SSPLGOSUGPSALT-UHFFFAOYSA-N	0	2	434.926	5.341	40	5		IKBBLN
O=c1[nH]c(=O)c([N+](=O)[O-])c(C=Cc2cn(Cc3ccc4ccccc4c3)c3ccccc23)[nH]1	ZINC000409314483	557106068	/nfs/dbraw/zinc/10/60/68/557106068.db2.gz	RMDBBRUXPAOXFB-VAWYXSNFSA-N	0	2	438.443	5.123	40	5		IKBBLN
COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000223644133	568876053	/nfs/dbraw/zinc/87/60/53/568876053.db2.gz	LNDYVYATKBNCFF-UHFFFAOYSA-N	0	2	448.884	5.158	40	5		IKBBLN