smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([N+](=O)[O-])cc1-c1ccc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)o1	ZINC000409045714	556930636	/nfs/dbraw/zinc/93/06/36/556930636.db2.gz	HFZYPGAAYNKEIN-UHFFFAOYSA-N	-2	3	425.401	3.518	40	5		IHBBHL
Cc1sc2nc(-c3cc(I)c([O-])c([N+](=O)[O-])c3)[n-]c(=O)c2c1C	ZINC000063836854	557492297	/nfs/dbraw/zinc/49/22/97/557492297.db2.gz	UWFIBULYPWRIGR-UHFFFAOYSA-N	-2	3	443.222	3.899	40	5		IHBBHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)cc1	ZINC000059132893	569459403	/nfs/dbraw/zinc/45/94/03/569459403.db2.gz	ZLOGJAICHOAKRW-UHFFFAOYSA-N	-2	3	447.494	3.505	40	5		IHBBHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409080163	556947167	/nfs/dbraw/zinc/94/71/67/556947167.db2.gz	MFCONNCGJPKALK-UHFFFAOYSA-N	-2	3	435.440	3.828	40	5		IHBBHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000014224036	557319168	/nfs/dbraw/zinc/31/91/68/557319168.db2.gz	KXWXQGKGCNMWOT-UHFFFAOYSA-N	-2	3	447.494	3.505	40	5		IHBBHL
Cc1cccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000409383997	556639163	/nfs/dbraw/zinc/63/91/63/556639163.db2.gz	ULBMTQAAIADJDR-UHFFFAOYSA-N	-2	3	447.494	3.505	40	5		IHBBHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000014134613	557422741	/nfs/dbraw/zinc/42/27/41/557422741.db2.gz	VFVZHLOEPCNKSO-UHFFFAOYSA-N	-2	3	435.440	3.828	40	5		IHBBHL
O=C([N-]N1C(=O)S/C(=C\c2c([O-])ccc3ccccc32)C1=O)c1ccc([N+](=O)[O-])cc1	ZINC000408762942	556829042	/nfs/dbraw/zinc/82/90/42/556829042.db2.gz	LZGZNRNXOYSGHN-WQRHYEAKSA-N	-2	3	435.417	3.835	40	5		IHBBHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	ZINC000409360010	557086232	/nfs/dbraw/zinc/08/62/32/557086232.db2.gz	CWZZJNPXMUHPOE-UHFFFAOYSA-N	-2	3	435.440	3.828	40	5		IHBBHL
COc1cc([N+](=O)[O-])ccc1-c1ccc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)o1	ZINC000409078157	556948804	/nfs/dbraw/zinc/94/88/04/556948804.db2.gz	HUSDRMRAYUFUCM-UHFFFAOYSA-N	-2	3	425.401	3.518	40	5		IHBBHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1	ZINC000059132888	569459388	/nfs/dbraw/zinc/45/93/88/569459388.db2.gz	QIOVDSPFDIEYLM-UHFFFAOYSA-N	-2	3	447.494	3.505	40	5		IHBBHL
Cc1ccccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000014223998	557433500	/nfs/dbraw/zinc/43/35/00/557433500.db2.gz	VEBOZUNURAMKJA-UHFFFAOYSA-N	-2	3	447.494	3.505	40	5		IHBBHL
Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	ZINC000059132415	557815058	/nfs/dbraw/zinc/81/50/58/557815058.db2.gz	XQEPLEMZWUMIBU-UHFFFAOYSA-N	-2	3	447.494	3.505	40	5		IHBBHL