smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3cccc3)cc21	ZINC000000006786	581102261	/nfs/dbraw/zinc/10/22/61/581102261.db2.gz	KTYABWSAGQKAPP-UHFFFAOYSA-N	-1	0	330.256	0.473	1	5		ECBFRM
O=C([O-])c1nc2cc(N3CCC(O)CC3)c([N+](=O)[O-])cc2[nH]c1=O	ZINC000013553633	135701617	/nfs/dbraw/zinc/70/16/17/135701617.db2.gz	ZQFPONXEYKXVBL-UHFFFAOYSA-N	-1	0	334.288	0.903	1	5		ECBFRM
O=C([O-])CN1C(=O)C(=O)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O	ZINC000001891350	209804020	/nfs/dbraw/zinc/80/40/20/209804020.db2.gz	OKAMCOXTUSQTGW-UHFFFAOYSA-N	-1	0	341.663	0.624	1	5		ECBFRM
O=C([O-])Cn1ccc(=O)n(Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O	ZINC000013761141	211633674	/nfs/dbraw/zinc/63/36/74/211633674.db2.gz	SRSCMKAWNIMFBH-UHFFFAOYSA-N	-1	0	339.691	0.705	1	5	in-vitro	ECBFRM
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])[nH]c(=O)c1nc(C(=O)[O-])nn12	ZINC000013532647	211573141	/nfs/dbraw/zinc/57/31/41/211573141.db2.gz	WSICKTBFTGIFKE-UHFFFAOYSA-N	-1	0	332.232	0.548	1	5		ECBFRM
Cc1ncc([N+](=O)[O-])n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000103275715	219281670	/nfs/dbraw/zinc/28/16/70/219281670.db2.gz	VFRMMZSMBARKPZ-LBPRGKRZSA-N	-1	0	332.316	0.912	1	5		ECBFRM
O=C([O-])c1nc2cc(-n3cnc(CO)c3)c([N+](=O)[O-])cc2[nH]c1=O	ZINC000013553638	211577505	/nfs/dbraw/zinc/57/75/05/211577505.db2.gz	DRLUXBUSKPFNHM-UHFFFAOYSA-N	-1	0	331.244	0.620	1	5		ECBFRM
Cc1ncc([N+](=O)[O-])n1CC(=O)[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000072116810	216012070	/nfs/dbraw/zinc/01/20/70/216012070.db2.gz	AWTAJVRCTGKUAG-UHFFFAOYSA-N	-1	0	342.308	0.744	1	5		ECBFRM
Cc1ncc([N+](=O)[O-])n1CC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000072118175	216012871	/nfs/dbraw/zinc/01/28/71/216012871.db2.gz	XYXQCXCTBGBGLL-UHFFFAOYSA-N	-1	0	338.345	0.913	1	5		ECBFRM
O=C([O-])CCn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3cccc3)cc21	ZINC000013445045	211559431	/nfs/dbraw/zinc/55/94/31/211559431.db2.gz	DRXNDLSRCBVINN-UHFFFAOYSA-N	-1	0	344.283	0.863	1	5		ECBFRM