smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1nc(C=Cc2ccc([O-])c(I)c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000409333807	559247772	/nfs/dbraw/zinc/24/77/72/559247772.db2.gz	JOZGWLHOWMTBIT-HNQUOIGGSA-N	-3	3	401.116	2.277	40	5		HEBBHL
O=c1[n-]c(=S)[nH]c([O-])c1C(c1cccc([N+](=O)[O-])c1)c1c([O-])[nH]c(=S)[n-]c1=O	ZINC000016399818	569041205	/nfs/dbraw/zinc/04/12/05/569041205.db2.gz	MLLBIKOBUKZITM-UHFFFAOYSA-N	-4	3	421.416	2.090	40	5		HEBBHL
CCc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)[O-])n[n-]1	ZINC000408632805	559222575	/nfs/dbraw/zinc/22/25/75/559222575.db2.gz	SYAMVBACNCWJIC-UVTDQMKNSA-N	-2	3	405.436	2.330	40	5		HEBBHL
O=c1[n-]c(C=Cc2ccc([O-])c(I)c2)nc([O-])c1[N+](=O)[O-]	ZINC000409328197	560709810	/nfs/dbraw/zinc/70/98/10/560709810.db2.gz	PWOPHNWXTJSCPU-DUXPYHPUSA-N	-3	3	401.116	2.277	40	5		HEBBHL
O=c1nc(C=Cc2cc(Cc3ccccc3)cc([N+](=O)[O-])c2[O-])c([N+](=O)[O-])c([O-])[n-]1	ZINC000107602789	560750880	/nfs/dbraw/zinc/75/08/80/560750880.db2.gz	UOIDQZAUEXOETL-VOTSOKGWSA-N	-3	3	410.342	2.346	40	5		HEBBHL