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-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc([N-]S(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)cc2)cc1	ZINC000002101132	551762260	/nfs/dbraw/zinc/76/22/60/551762260.db2.gz	IIBLIZYQVHXCIO-UHFFFAOYSA-N	-2	1	570.561	4.897	50	5		KJBAML
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cc3ccc([N-]S(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3)cc2)c1	ZINC000004558432	552467210	/nfs/dbraw/zinc/46/72/10/552467210.db2.gz	JMABEPILUGSKJD-UHFFFAOYSA-N	-2	1	568.589	4.695	50	5		KJBAML
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000013955258	553497538	/nfs/dbraw/zinc/49/75/38/553497538.db2.gz	CBBGNWRHVYDJGL-QPJJXVBHSA-N	-2	1	508.712	4.558	50	5		KJBAML
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1	ZINC000014224995	553506395	/nfs/dbraw/zinc/50/63/95/553506395.db2.gz	TUZGJUCAFLXCBV-UHFFFAOYSA-N	-2	1	502.357	4.503	50	5		KJBAML
COc1cc(C(c2c(C(=O)[O-])[nH]c3ccccc32)c2c(C(=O)[O-])[nH]c3ccccc32)c(O)c([N+](=O)[O-])c1	ZINC000015016911	553526285	/nfs/dbraw/zinc/52/62/85/553526285.db2.gz	VSINIEHZMVWXDT-UHFFFAOYSA-N	-2	1	501.451	4.848	50	5		KJBAML
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(F)(F)F)c2)cc1	ZINC000097971155	553961098	/nfs/dbraw/zinc/96/10/98/553961098.db2.gz	PCRUALRKAKCTFH-UHFFFAOYSA-N	-2	1	535.909	4.869	50	5		KJBAML
Cc1nc([N-]c2nnc(-c3ccccc3[S-])o2)sc1C(=O)C=C(O)C(=O)Nc1ccc(C)cc1[N+](=O)[O-]	ZINC000100721950	554455919	/nfs/dbraw/zinc/45/59/19/554455919.db2.gz	NEODKLRKLQHREE-UHFFFAOYSA-N	-2	1	538.567	4.531	50	5		KJBAML