smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc(C(F)(F)F)c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1NCP(=O)([O-])[O-]	ZINC000027879719	561888916	/nfs/dbraw/zinc/88/89/16/561888916.db2.gz	IVNYGPBBGKWOCJ-UHFFFAOYSA-N	-2	3	528.346	4.506	1	5		KJBFHL
COc1cc([C@@H]2Oc3cc([C@H]4Oc5cccc([O-])c5C(=O)[C@@H]4O)ccc3O[C@H]2CO[P@@](=O)([O-])Oc2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000072105192	562720722	/nfs/dbraw/zinc/72/07/22/562720722.db2.gz	KPGFCKMSZZYQFS-GFOCBTRVSA-N	-2	3	667.516	4.769	1	5		KJBFHL
COc1cc([C@@H]2Oc3cc([C@H]4Oc5cccc([O-])c5C(=O)[C@@H]4O)ccc3O[C@@H]2CO[P@@](=O)([O-])Oc2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000072105194	562720703	/nfs/dbraw/zinc/72/07/03/562720703.db2.gz	KPGFCKMSZZYQFS-GDZAYFCTSA-N	-2	3	667.516	4.769	1	5		KJBFHL
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(Cn4nc(-c5cccc([O-])c5)n(-c5cccc([N+](=O)[O-])c5)c4=S)CC3)c(F)cc2c1=O	ZINC000095597117	562777189	/nfs/dbraw/zinc/77/71/89/562777189.db2.gz	DOBYLMUASBYODE-UHFFFAOYSA-N	-2	3	657.684	4.951	1	5		KJBFHL
O=C1C=C([O-])C=C2OC(c3ccc([O-])c(Oc4c([N+](=O)[O-])cc(C(F)(F)F)cc4[N+](=O)[O-])c3)C(=O)C(O)=C12	ZINC000103209298	562816601	/nfs/dbraw/zinc/81/66/01/562816601.db2.gz	OTLVHHBUSMVVEW-UHFFFAOYSA-N	-2	3	536.327	4.910	1	5		KJBFHL
COc1c(OCC(=O)[O-])cc2oc3cc(OCC(=O)[O-])c(CC=C(C)C)c([O-])c3c(=O)c2c1CC=C(C)C	ZINC000148379243	562841205	/nfs/dbraw/zinc/84/12/05/562841205.db2.gz	AELWFBGJCYPFTA-UHFFFAOYSA-N	-3	3	526.538	4.605	1	5		KJBFHL
O=C(c1ccc(-c2cccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3[N+](=O)[O-])c2)s1)c1cccc([O-])c1	ZINC000473152914	562901871	/nfs/dbraw/zinc/90/18/71/562901871.db2.gz	XFNYGFHYWWCAAG-UHFFFAOYSA-N	-2	3	525.520	4.969	1	5		KJBFHL