smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cccc([N+](=O)[O-])c1	ZINC000102582277	206386732	/nfs/dbraw/zinc/38/67/32/206386732.db2.gz	BOAHLJCNLSTQQN-FUNVUKJBSA-N	-2	3	329.316	2.603	40	5		EFBBHL
O=[N+]([O-])c1cccc([C@H](NCc2cccs2)P(=O)([O-])[O-])c1	ZINC000012949548	471808385	/nfs/dbraw/zinc/80/83/85/471808385.db2.gz	OVXMVPVXNXFLAY-GFCCVEGCSA-N	-2	3	328.286	2.622	40	5		EFBBHL
N[C@@H](c1nc(-c2cc([N+](=O)[O-])ccc2[O-])n[n-]1)c1ccc(Cl)cc1	ZINC000095534045	473223439	/nfs/dbraw/zinc/22/34/39/473223439.db2.gz	ORROSKRLYBAYTA-CYBMUJFWSA-N	-2	3	345.746	2.787	40	5		EFBBHL
CCc1nc(SC(=Cc2ccc(C)c([N+](=O)[O-])c2)C(=O)[O-])n[n-]1	ZINC000038423248	472019056	/nfs/dbraw/zinc/01/90/56/472019056.db2.gz	FIDIFJWKHBEDDK-YRNVUSSQSA-N	-2	3	334.357	2.802	40	5		EFBBHL
CCCc1nc(SC(=Cc2ccc([N+](=O)[O-])cc2)C(=O)[O-])n[n-]1	ZINC000213380738	474134355	/nfs/dbraw/zinc/13/43/55/474134355.db2.gz	VJTKZZNSLKIXEI-FLIBITNWSA-N	-2	3	334.357	2.883	40	5		EFBBHL
N[C@H](c1nc(-c2cc([N+](=O)[O-])ccc2[O-])n[n-]1)c1ccc(Cl)cc1	ZINC000095534044	473223723	/nfs/dbraw/zinc/22/37/23/473223723.db2.gz	ORROSKRLYBAYTA-ZDUSSCGKSA-N	-2	3	345.746	2.787	40	5		EFBBHL
O=[N+]([O-])c1cccc([C@@H](NCc2cccs2)P(=O)([O-])[O-])c1	ZINC000012949551	471808050	/nfs/dbraw/zinc/80/80/50/471808050.db2.gz	OVXMVPVXNXFLAY-LBPRGKRZSA-N	-2	3	328.286	2.622	40	5		EFBBHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccc([N+](=O)[O-])cc1	ZINC000102582269	219212685	/nfs/dbraw/zinc/21/26/85/219212685.db2.gz	URMHWACRBKBXAZ-FUNVUKJBSA-N	-2	3	329.316	2.603	40	5		EFBBHL
O=[N+]([O-])c1ccccc1C([N-]c1nncs1)[N-]c1nncs1	ZINC000001592920	471394037	/nfs/dbraw/zinc/39/40/37/471394037.db2.gz	LEWIPLQXUSXKFT-UHFFFAOYSA-N	-2	3	335.374	2.521	40	5		EFBBHL
O=C([O-])c1ccc(Sc2nc(C(F)(F)F)n[n-]2)c([N+](=O)[O-])c1	ZINC000078406567	201185529	/nfs/dbraw/zinc/18/55/29/201185529.db2.gz	YDVSGPTTWSWIBL-UHFFFAOYSA-N	-2	3	334.235	2.581	40	5		EFBBHL
O=C([O-])c1ccc(Sc2nnc(C(F)(F)F)[n-]2)c([N+](=O)[O-])c1	ZINC000078406567	201185532	/nfs/dbraw/zinc/18/55/32/201185532.db2.gz	YDVSGPTTWSWIBL-UHFFFAOYSA-N	-2	3	334.235	2.581	40	5		EFBBHL
O=C([O-])c1cc([N+](=O)[O-])ccc1Sc1nnc(C(F)(F)F)[n-]1	ZINC000078406598	217048643	/nfs/dbraw/zinc/04/86/43/217048643.db2.gz	FHFZXOWKSRDZKZ-UHFFFAOYSA-N	-2	3	334.235	2.581	40	5		EFBBHL
O=C([O-])c1cc([N+](=O)[O-])ccc1Sc1nc(C(F)(F)F)n[n-]1	ZINC000078406598	217048645	/nfs/dbraw/zinc/04/86/45/217048645.db2.gz	FHFZXOWKSRDZKZ-UHFFFAOYSA-N	-2	3	334.235	2.581	40	5		EFBBHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1ccccc1[N+](=O)[O-]	ZINC000102582287	281702512	/nfs/dbraw/zinc/70/25/12/281702512.db2.gz	ZWUBIHQHUMOAJC-FUNVUKJBSA-N	-2	3	329.316	2.603	40	5		EFBBHL