smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2nc(SCC(=O)[O-])n(C[C@H](O)Cc3ccc([N+](=O)[O-])cc3)c2c(=O)[nH]c1=O	ZINC000009009237	569496388	/nfs/dbraw/zinc/49/63/88/569496388.db2.gz	QSMLCGHHGFHLGE-LLVKDONJSA-N	-1	0	435.418	0.112	50	5		ICBARM
Cn1c2nc(SCC(=O)[O-])n(C[C@@H](O)Cc3ccc([N+](=O)[O-])cc3)c2c(=O)[nH]c1=O	ZINC000009009238	569496265	/nfs/dbraw/zinc/49/62/65/569496265.db2.gz	QSMLCGHHGFHLGE-NSHDSACASA-N	-1	0	435.418	0.112	50	5		ICBARM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)N1CCOCC1	ZINC000012351782	521939425	/nfs/dbraw/zinc/93/94/25/521939425.db2.gz	UVSNMBFOZAQAGR-DUXPYHPUSA-N	-1	0	432.389	0.388	50	5		ICBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)NN2CC(=O)NC2=O)cc1	ZINC000012536063	525469632	/nfs/dbraw/zinc/46/96/32/525469632.db2.gz	UPSHNFZTKHTGPR-UHFFFAOYSA-N	-1	0	449.401	0.601	50	5		ICBARM
COc1ccc(S(=O)(=O)[N-]C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c([N+](=O)[O-])c1	ZINC000059290809	569460724	/nfs/dbraw/zinc/46/07/24/569460724.db2.gz	ZINVYOZANWONFR-UHFFFAOYSA-N	-1	0	443.459	0.972	50	5		ICBARM
CCOc1ccc([N-]S(=O)(=O)c2cn(C)nc2[N+](=O)[O-])cc1S(=O)(=O)N(C)C	ZINC000084810930	568801774	/nfs/dbraw/zinc/80/17/74/568801774.db2.gz	NAXHCIUPOTXORM-UHFFFAOYSA-N	-1	0	433.468	0.778	50	5		ICBARM
O=[N+]([O-])c1ccc([O-])c(CSc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1	ZINC000095869655	563194620	/nfs/dbraw/zinc/19/46/20/563194620.db2.gz	UNTSTPIAQOSGHD-LSCFUAHRSA-N	-1	0	435.418	0.344	50	5		ICBARM
O=[N+]([O-])c1ccc([O-])c(CSc2ncnc3c2ncn3[C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c1	ZINC000095918564	569375176	/nfs/dbraw/zinc/37/51/76/569375176.db2.gz	UNTSTPIAQOSGHD-MJFSBKNWSA-N	-1	0	435.418	0.344	50	5		ICBARM
CC[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(CCOC)C3=O)[C@H]2C1	ZINC000102788303	557388146	/nfs/dbraw/zinc/38/81/46/557388146.db2.gz	JTTPYSVJXJKWNC-OXQOHEQNSA-N	-1	0	431.449	0.373	50	5		ICBARM
CC[N@@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(CCOC)C3=O)[C@H]2C1	ZINC000102788305	557388161	/nfs/dbraw/zinc/38/81/61/557388161.db2.gz	JTTPYSVJXJKWNC-UZLBHIALSA-N	-1	0	431.449	0.373	50	5		ICBARM