smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1C[N@H+](CCO)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000424057825	354208297	/nfs/dbraw/zinc/20/82/97/354208297.db2.gz	KCYHNEBQGDJSCZ-SNVBAGLBSA-N	1	1	297.315	-0.684	50	5		CBBAMO
C[C@@H]1C[N@@H+](CCO)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000424057825	354208301	/nfs/dbraw/zinc/20/83/01/354208301.db2.gz	KCYHNEBQGDJSCZ-SNVBAGLBSA-N	1	1	297.315	-0.684	50	5		CBBAMO
CNc1nc(N2CC[NH+](C)CC2)nc(N)c1[N+](=O)[O-]	ZINC000004123426	372753492	/nfs/dbraw/zinc/75/34/92/372753492.db2.gz	PKHLXUFAZRWDCB-UHFFFAOYSA-N	1	1	267.293	-0.240	50	5		CBBAMO
Cc1cc([N+](=O)[O-])nn1CC(=O)N1CC[NH+](C)CC1	ZINC000019288306	170773041	/nfs/dbraw/zinc/77/30/41/170773041.db2.gz	KGYKROQBDDMTOB-UHFFFAOYSA-N	1	1	267.289	-0.126	50	5		CBBAMO
C[NH+]1CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000020220106	171082472	/nfs/dbraw/zinc/08/24/72/171082472.db2.gz	LRXUTGAYOKMMOI-UHFFFAOYSA-N	1	1	253.262	-0.435	50	5		CBBAMO
C[C@H]1C[N@H+](CCO)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000424057818	354208317	/nfs/dbraw/zinc/20/83/17/354208317.db2.gz	KCYHNEBQGDJSCZ-JTQLQIEISA-N	1	1	297.315	-0.684	50	5		CBBAMO
C[C@H]1C[N@@H+](CCO)CCN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000424057818	354208324	/nfs/dbraw/zinc/20/83/24/354208324.db2.gz	KCYHNEBQGDJSCZ-JTQLQIEISA-N	1	1	297.315	-0.684	50	5		CBBAMO
Cn1c(/C=C/[NH+](C)C)c([N+](=O)[O-])c(=O)n(C)c1=O	ZINC000049984615	419454545	/nfs/dbraw/zinc/45/45/45/419454545.db2.gz	RWXJJNUDUCETTI-AATRIKPKSA-N	1	1	254.246	-0.476	50	5		CBBAMO
C[NH+]1CCN(N=c2nc[nH]c(N)c2[N+](=O)[O-])CC1	ZINC000003912541	277109982	/nfs/dbraw/zinc/10/99/82/277109982.db2.gz	KWZJPVMZFZQYPY-UHFFFAOYSA-N	1	1	253.266	-0.459	50	5		CBBAMO
C[NH+]1CCN(c2nc(NCCO)nc(N)c2[N+](=O)[O-])CC1	ZINC000005215224	372752727	/nfs/dbraw/zinc/75/27/27/372752727.db2.gz	LASBDSGSRXMCJQ-UHFFFAOYSA-N	1	1	297.319	-0.877	50	5		CBBAMO
[NH3+]CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000195544440	283439657	/nfs/dbraw/zinc/43/96/57/283439657.db2.gz	AYTHSEJFXXYRTR-UHFFFAOYSA-N	1	1	263.250	-0.029	50	5		CBBAMO
Cn1cc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCOCC2)n1	ZINC000022238428	171380598	/nfs/dbraw/zinc/38/05/98/171380598.db2.gz	WDIRYOGHDINMBT-UHFFFAOYSA-N	1	1	297.315	-0.220	50	5		CBBAMO
C[N@@H+]1C[C@@]2([N+](=O)[O-])CC=C(OCCO)[C@@]([N+](=O)[O-])(C1)C2	ZINC000019831578	290297134	/nfs/dbraw/zinc/29/71/34/290297134.db2.gz	NETGXSFDRKUIML-MNOVXSKESA-N	1	1	287.272	-0.351	50	5		CBBAMO
C[N@H+]1C[C@@]2([N+](=O)[O-])CC=C(OCCO)[C@@]([N+](=O)[O-])(C1)C2	ZINC000019831578	290297138	/nfs/dbraw/zinc/29/71/38/290297138.db2.gz	NETGXSFDRKUIML-MNOVXSKESA-N	1	1	287.272	-0.351	50	5		CBBAMO
COc1nc(N2CC[NH+](C)CC2)nc(N)c1[N+](=O)[O-]	ZINC000004123431	274167795	/nfs/dbraw/zinc/16/77/95/274167795.db2.gz	XEXRWVNIODOGHU-UHFFFAOYSA-N	1	1	268.277	-0.273	50	5		CBBAMO
Cn1c(CN2CC[NH+](CCO)CC2)ncc1[N+](=O)[O-]	ZINC000001585079	351304158	/nfs/dbraw/zinc/30/41/58/351304158.db2.gz	HFDSCTCNNRNJIE-UHFFFAOYSA-N	1	1	269.305	-0.562	50	5	in-vitro	CBBAMO
C[NH+]1CCN(c2nc(N)c([N+](=O)[O-])c(NCCO)n2)CC1	ZINC000005156820	351322115	/nfs/dbraw/zinc/32/21/15/351322115.db2.gz	UQPFCYXTNGSPNR-UHFFFAOYSA-N	1	1	297.319	-0.877	50	5		CBBAMO
CN(CC(=O)N1CC[NH+](C)CC1)c1c([N+](=O)[O-])ncn1C	ZINC000023624374	171424757	/nfs/dbraw/zinc/42/47/57/171424757.db2.gz	JFKFNWMOHCAWOA-UHFFFAOYSA-N	1	1	296.331	-0.462	50	5		CBBAMO
O=C(Cn1cc([N+](=O)[O-])cn1)NCCC[NH+]1CCOCC1	ZINC000019857558	351352015	/nfs/dbraw/zinc/35/20/15/351352015.db2.gz	GTGBEDQPUDDEFF-UHFFFAOYSA-N	1	1	297.315	-0.370	50	5		CBBAMO
Nc1nc(N2CC[NH+](CCO)CC2)ncc1[N+](=O)[O-]	ZINC000062022628	351573234	/nfs/dbraw/zinc/57/32/34/351573234.db2.gz	VVRHNDNQLWAHKF-UHFFFAOYSA-N	1	1	268.277	-0.919	50	5		CBBAMO
CN(C)c1nc(N)c([N+](=O)[O-])c(N2CC[NH+](C)CC2)n1	ZINC000004306017	351317834	/nfs/dbraw/zinc/31/78/34/351317834.db2.gz	RZBDWTPSGPOZRD-UHFFFAOYSA-N	1	1	281.320	-0.215	50	5		CBBAMO