smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(C)C3=O)[C@@H]2C1	ZINC000009487069	535549581	/nfs/dbraw/zinc/54/95/81/535549581.db2.gz	BXQJZILBJOAUSY-LQGCGHSZSA-N	-1	1	430.417	0.994	50	5		ICBAMM
Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCNc1ccccc1[N+](=O)[O-]	ZINC000010085199	132334584	/nfs/dbraw/zinc/33/45/84/132334584.db2.gz	YYPUACBBAIIDLT-UHFFFAOYSA-N	-1	1	430.465	0.984	50	5		ICBAMM
O=C(c1ccccc1)N1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@@H]2C1	ZINC000012375900	132340860	/nfs/dbraw/zinc/34/08/60/132340860.db2.gz	CFZUBUQZSDXGJP-KRWDZBQOSA-N	-1	1	449.423	0.834	50	5		ICBAMM
O=C(c1ccccc1)N1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@H]2C1	ZINC000014944797	557123511	/nfs/dbraw/zinc/12/35/11/557123511.db2.gz	CFZUBUQZSDXGJP-QGZVFWFLSA-N	-1	1	449.423	0.834	50	5		ICBAMM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OCC(=O)N1CCOCC1	ZINC000016361364	568878586	/nfs/dbraw/zinc/87/85/86/568878586.db2.gz	WJLJKOZQOFYBCU-HWKANZROSA-N	-1	1	432.389	0.800	50	5		ICBAMM
CCOC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)[N-]C(=O)N(C)C3=O)[C@@H]2C1	ZINC000017014363	569170237	/nfs/dbraw/zinc/17/02/37/569170237.db2.gz	BXQJZILBJOAUSY-SZELWCTASA-N	-1	1	430.417	0.994	50	5		ICBAMM
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1	ZINC000025620577	568741335	/nfs/dbraw/zinc/74/13/35/568741335.db2.gz	QBKGHKHYJMIDQC-UHFFFAOYSA-N	-1	1	428.373	0.708	50	5		ICBAMM
CC[N@H+]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(CCOC)C3=O)[C@@H]2C1	ZINC000036329867	569076664	/nfs/dbraw/zinc/07/66/64/569076664.db2.gz	JTTPYSVJXJKWNC-OXJNMPFZSA-N	-1	1	431.449	0.373	50	5		ICBAMM