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-])c1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000004481971	181112915	/nfs/dbraw/zinc/11/29/15/181112915.db2.gz	HBGXOOXDSPGNAH-UHFFFAOYSA-N	-2	0	302.242	2.251	50	5		DEBARL
Cc1[nH]nc2nc(-c3cc([N+](=O)[O-])ccc3[O-])cc(C(=O)[O-])c12	ZINC000049544970	302532402	/nfs/dbraw/zinc/53/24/02/302532402.db2.gz	NGGAKHBLMWMDLT-UHFFFAOYSA-N	-2	0	314.257	2.245	50	5		DEBARL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c1	ZINC000003884698	181052237	/nfs/dbraw/zinc/05/22/37/181052237.db2.gz	PRWBOHFORNIFNJ-UHFFFAOYSA-N	-2	0	322.298	2.094	50	5		DEBARL
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000020219071	257268869	/nfs/dbraw/zinc/26/88/69/257268869.db2.gz	BKUNPQRMDNFZLI-UHFFFAOYSA-N	-2	0	322.298	2.094	50	5		DEBARL
CC(C)[C@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1[O-])C(=O)[O-]	ZINC000004828331	280230894	/nfs/dbraw/zinc/23/08/94/280230894.db2.gz	CRCZPSSBXSQRRD-JTQLQIEISA-N	-2	0	310.306	2.376	50	5		DEBARL
Cc1[nH]c2ccccc2c1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000009010307	401758776	/nfs/dbraw/zinc/75/87/76/401758776.db2.gz	PTYXJKURGMONME-SREVYHEPSA-N	-2	0	312.285	2.344	50	5		DEBARL
O=C(c1ccc([O-])c([N+](=O)[O-])c1)c1ccc([O-])c([N+](=O)[O-])c1	ZINC000001651546	401709367	/nfs/dbraw/zinc/70/93/67/401709367.db2.gz	AABHPMAMDHAYRG-UHFFFAOYSA-N	-2	0	304.214	2.145	50	5		DEBARL
Cc1[nH]c2ccccc2c1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000009235086	401760547	/nfs/dbraw/zinc/76/05/47/401760547.db2.gz	PTYXJKURGMONME-VOTSOKGWSA-N	-2	0	312.285	2.344	50	5		DEBARL
O=C([O-])C(=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)[O-]	ZINC000000091376	401688014	/nfs/dbraw/zinc/68/80/14/401688014.db2.gz	AXVYYJBPHOLVHJ-UHFFFAOYSA-N	-2	0	303.226	2.407	50	5		DEBARL
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000006315986	304263942	/nfs/dbraw/zinc/26/39/42/304263942.db2.gz	ZHVUPYFYOFHVSL-UHFFFAOYSA-N	-2	0	322.298	2.094	50	5		DEBARL
CC(C)Oc1ccccc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000005080721	401728850	/nfs/dbraw/zinc/72/88/50/401728850.db2.gz	IUQFDFVZSNBNHX-BQYQJAHWSA-N	-2	0	317.301	2.341	50	5		DEBARL
CC(C)[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1[O-])C(=O)[O-]	ZINC000004828326	401727419	/nfs/dbraw/zinc/72/74/19/401727419.db2.gz	CRCZPSSBXSQRRD-SNVBAGLBSA-N	-2	0	310.306	2.376	50	5		DEBARL
O=C([O-])c1ccc2cc([N+](=O)[O-])c3ccc(C(=O)[O-])nc3c2n1	ZINC000005225034	304254378	/nfs/dbraw/zinc/25/43/78/304254378.db2.gz	XZQXNUFLUBLEIO-UHFFFAOYSA-N	-2	0	313.225	2.088	50	5		DEBARL
O=C([O-])C(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-]	ZINC000000337576	190612589	/nfs/dbraw/zinc/61/25/89/190612589.db2.gz	MRZKDAVMLCNIEI-UHFFFAOYSA-N	-2	0	303.226	2.407	50	5		DEBARL
Cn1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c2ccccc21	ZINC000008994522	401758806	/nfs/dbraw/zinc/75/88/06/401758806.db2.gz	DPGUJUVABCSAOV-SREVYHEPSA-N	-2	0	312.285	2.046	50	5		DEBARL
O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000025075204	401830974	/nfs/dbraw/zinc/83/09/74/401830974.db2.gz	MWXPPZARWSMLCS-UHFFFAOYSA-N	-2	0	322.298	2.094	50	5		DEBARL
O=C([O-])C(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)[O-]	ZINC000000337580	401694782	/nfs/dbraw/zinc/69/47/82/401694782.db2.gz	RRMUMFWOUFWXPU-UHFFFAOYSA-N	-2	0	303.226	2.407	50	5		DEBARL
CCCOc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1	ZINC000009010308	401758820	/nfs/dbraw/zinc/75/88/20/401758820.db2.gz	KUYFFVQJTNDCBI-VMPITWQZSA-N	-2	0	317.301	2.343	50	5		DEBARL
O=C([O-])c1ccc(C(=O)[O-])c(C(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000000225935	401691333	/nfs/dbraw/zinc/69/13/33/401691333.db2.gz	CSBZBOBYFXLIGH-UHFFFAOYSA-N	-2	0	315.237	2.222	50	5		DEBARL
O=C([O-])c1ccc([N+](=O)[O-])cc1N[C@H]1C=CCC=C1C(=O)[O-]	ZINC000003051815	401721339	/nfs/dbraw/zinc/72/13/39/401721339.db2.gz	MVCPAQYLBVWUFK-NSHDSACASA-N	-2	0	304.258	2.044	50	5		DEBARL
O=C([O-])c1ccc([N+](=O)[O-])cc1N[C@@H]1C=CCC=C1C(=O)[O-]	ZINC000003051817	401721454	/nfs/dbraw/zinc/72/14/54/401721454.db2.gz	MVCPAQYLBVWUFK-LLVKDONJSA-N	-2	0	304.258	2.044	50	5		DEBARL
O=C([O-])c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-]	ZINC000001513541	401708163	/nfs/dbraw/zinc/70/81/63/401708163.db2.gz	YIOOURVJTSABAA-UHFFFAOYSA-N	-2	0	315.237	2.222	50	5		DEBARL
CC(C)Oc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1	ZINC000009010339	401758778	/nfs/dbraw/zinc/75/87/78/401758778.db2.gz	NKEUYHCQYYAMSS-VMPITWQZSA-N	-2	0	317.301	2.341	50	5		DEBARL
O=C([O-])c1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000000188348	180720051	/nfs/dbraw/zinc/72/00/51/180720051.db2.gz	NWOPWVYYUFJXKE-UHFFFAOYSA-N	-2	0	315.237	2.222	50	5		DEBARL