smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc(NCC[NH+]2CCOCC2)ncc1[N+](=O)[O-]	ZINC000056908482	351549740	/nfs/dbraw/zinc/54/97/40/351549740.db2.gz	POJOBXSKPAGFHV-UHFFFAOYSA-N	1	2	268.277	-0.289	50	5		CBBALO
Cn1cc([N+](=O)[O-])c(C(=O)N2CC[NH+](C)CC2)n1	ZINC000055008611	351539474	/nfs/dbraw/zinc/53/94/74/351539474.db2.gz	MBGDZIQCIVPKSY-UHFFFAOYSA-N	1	2	253.262	-0.284	50	5		CBBALO
C[N@H+]1C[C@@]2([N+](=O)[O-])C=C(C(N)=O)C[C@@]([N+](=O)[O-])(C1)C2	ZINC000033688710	290296812	/nfs/dbraw/zinc/29/68/12/290296812.db2.gz	DPGIQLJYKGILLJ-ZJUUUORDSA-N	1	2	270.245	-0.832	50	5		CBBALO
C[N@@H+]1C[C@@]2([N+](=O)[O-])C=C(C(N)=O)C[C@@]([N+](=O)[O-])(C1)C2	ZINC000033688710	290296816	/nfs/dbraw/zinc/29/68/16/290296816.db2.gz	DPGIQLJYKGILLJ-ZJUUUORDSA-N	1	2	270.245	-0.832	50	5		CBBALO
CC[N@H+]1C[C@@]2([N+](=O)[O-])C=C(C(N)=O)C[C@@]([N+](=O)[O-])(C1)C2	ZINC000033390962	411624592	/nfs/dbraw/zinc/62/45/92/411624592.db2.gz	SGAMACJREFTAQK-MNOVXSKESA-N	1	2	284.272	-0.442	50	5		CBBALO
CC[N@@H+]1C[C@@]2([N+](=O)[O-])C=C(C(N)=O)C[C@@]([N+](=O)[O-])(C1)C2	ZINC000033390962	411624596	/nfs/dbraw/zinc/62/45/96/411624596.db2.gz	SGAMACJREFTAQK-MNOVXSKESA-N	1	2	284.272	-0.442	50	5		CBBALO
NC(=O)C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1	ZINC000049321079	351491193	/nfs/dbraw/zinc/49/11/93/351491193.db2.gz	NJOJHTAQUHVGHS-UHFFFAOYSA-N	1	2	279.300	-0.013	50	5		CBBALO
NC(=O)C[N@H+]1CCCN(c2ccc([N+](=O)[O-])cn2)CC1	ZINC000049321079	351491200	/nfs/dbraw/zinc/49/12/00/351491200.db2.gz	NJOJHTAQUHVGHS-UHFFFAOYSA-N	1	2	279.300	-0.013	50	5		CBBALO
O=[N+]([O-])c1ccc([C@H]2[NH2+]C(CO)(CO)CO2)cc1	ZINC000020223515	171085583	/nfs/dbraw/zinc/08/55/83/171085583.db2.gz	DDVHWDFQHZUGKS-JTQLQIEISA-N	1	2	254.242	-0.063	50	5		CBBALO
O=[N+]([O-])c1ccc([C@@H]2[NH2+]C(CO)(CO)CO2)cc1	ZINC000020223517	171086104	/nfs/dbraw/zinc/08/61/04/171086104.db2.gz	DDVHWDFQHZUGKS-SNVBAGLBSA-N	1	2	254.242	-0.063	50	5		CBBALO
Nc1ncnc(N2CC[NH+](CCO)CC2)c1[N+](=O)[O-]	ZINC000023153907	295374328	/nfs/dbraw/zinc/37/43/28/295374328.db2.gz	RWQLCXBVWBSAAE-UHFFFAOYSA-N	1	2	268.277	-0.919	50	5		CBBALO
NC(=O)C[N@@H+]1CCCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000049321101	295046137	/nfs/dbraw/zinc/04/61/37/295046137.db2.gz	CMFWDVXMBFMLNA-UHFFFAOYSA-N	1	2	279.300	-0.013	50	5		CBBALO
NC(=O)C[N@H+]1CCCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000049321101	295046140	/nfs/dbraw/zinc/04/61/40/295046140.db2.gz	CMFWDVXMBFMLNA-UHFFFAOYSA-N	1	2	279.300	-0.013	50	5		CBBALO
O=[N+]([O-])[C@@]12C=CC[C@@]([N+](=O)[O-])(C[N@@H+](CCO)C1)C2	ZINC000033391904	411624411	/nfs/dbraw/zinc/62/44/11/411624411.db2.gz	TWAADFPRUHACJZ-ZJUUUORDSA-N	1	2	257.246	-0.325	50	5		CBBALO
O=[N+]([O-])[C@@]12C=CC[C@@]([N+](=O)[O-])(C[N@H+](CCO)C1)C2	ZINC000033391904	411624414	/nfs/dbraw/zinc/62/44/14/411624414.db2.gz	TWAADFPRUHACJZ-ZJUUUORDSA-N	1	2	257.246	-0.325	50	5		CBBALO
CN1CCN(Nc2nc(N)c([N+](=O)[O-])c[nH+]2)CC1	ZINC000070644117	372766139	/nfs/dbraw/zinc/76/61/39/372766139.db2.gz	OULKCWSFLLVJSQ-UHFFFAOYSA-N	1	2	253.266	-0.459	50	5		CBBALO
CN(C)C(=O)C[NH+]1CCN(c2c([N+](=O)[O-])ncn2C)CC1	ZINC000057541968	351554227	/nfs/dbraw/zinc/55/42/27/351554227.db2.gz	OTGVOBKDMKYVME-UHFFFAOYSA-N	1	2	296.331	-0.462	50	5		CBBALO