smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc2nc3cc(N)ccc3cc2c1	ZINC000027556187	343120749	/nfs/dbraw/zinc/12/07/49/343120749.db2.gz	AXNLREBQOMGJMQ-UHFFFAOYSA-N	0	1	209.252	2.552	10	5		BFBEMN
Cc1nc(Nc2cccc(C)c2)c([N+](=O)[O-])[nH]1	ZINC000004902223	179158753	/nfs/dbraw/zinc/15/87/53/179158753.db2.gz	ULVDWGYJQQMXLA-UHFFFAOYSA-N	0	1	232.243	2.678	10	5		BFBEMN
O=[N+]([O-])c1ccc(O)cc1OCc1ccccc1	ZINC000036432134	350173251	/nfs/dbraw/zinc/17/32/51/350173251.db2.gz	ODMKDBZWWJLVIK-UHFFFAOYSA-N	0	1	245.234	2.879	10	5		BFBEMN
O=[N+]([O-])c1cc(O)cc(Cl)c1Cl	ZINC000306933161	351358718	/nfs/dbraw/zinc/35/87/18/351358718.db2.gz	FRORKAIRHPKZOL-UHFFFAOYSA-N	0	1	208.000	2.607	10	5		BFBEMN
CCNc1ccc([N+](=O)[O-])cc1CN(C)C1CC1	ZINC000050812699	170174321	/nfs/dbraw/zinc/17/43/21/170174321.db2.gz	LVBYLINGTQZVKJ-UHFFFAOYSA-N	0	1	249.314	2.621	10	5		BFBEMN
CN(C)/C=C/c1ccc([N+](=O)[O-])cc1Cl	ZINC000095751985	172351013	/nfs/dbraw/zinc/35/10/13/172351013.db2.gz	XFDOABBRZKPSAF-AATRIKPKSA-N	0	1	226.663	2.781	10	5		BFBEMN
O=[N+]([O-])c1cnc2nc(-c3ccccc3)[nH]c2c1	ZINC000090469392	182959174	/nfs/dbraw/zinc/95/91/74/182959174.db2.gz	WVRSXPFJEQAQKU-UHFFFAOYSA-N	0	1	240.222	2.533	10	5		BFBEMN
CCN[C@@H](c1ccc([N+](=O)[O-])o1)c1ccccc1	ZINC000035540428	170165092	/nfs/dbraw/zinc/16/50/92/170165092.db2.gz	KDAMSCDAINMEQF-CYBMUJFWSA-N	0	1	246.266	2.887	10	5		BFBEMN
CCCN(CCC)c1ccc([N+](=O)[O-])c(O)c1	ZINC000090448221	363061253	/nfs/dbraw/zinc/06/12/53/363061253.db2.gz	MCBISBIYQJRUFG-UHFFFAOYSA-N	0	1	238.287	2.927	10	5		BFBEMN
CC(C)c1cc2[nH]ncc2c([N+](=O)[O-])c1	ZINC000014985924	350228059	/nfs/dbraw/zinc/22/80/59/350228059.db2.gz	ZBXNMYBLEZPGEE-UHFFFAOYSA-N	0	1	205.217	2.595	10	5		BFBEMN
O=[N+]([O-])c1ccc(O)cc1/C=C/Br	ZINC000685963846	538910690	/nfs/dbraw/zinc/91/06/90/538910690.db2.gz	HFIQLXMBEXRZDB-ONEGZZNKSA-N	0	1	244.044	2.666	10	5		BFBEMN
O=[N+]([O-])c1ccc2c(c1)CCN2c1ccncc1	ZINC000114607821	368944761	/nfs/dbraw/zinc/94/47/61/368944761.db2.gz	ZFBFMWFDMIMVRW-UHFFFAOYSA-N	0	1	241.250	2.684	10	5		BFBEMN
CC[N@@H+]1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])cc12	ZINC000117921586	343021030	/nfs/dbraw/zinc/02/10/30/343021030.db2.gz	VZVMHVUBVLLCFQ-ZJUUUORDSA-N	0	1	232.283	2.501	10	5		BFBEMN
O=[N+]([O-])c1cc2c(Cl)[nH]nc2c(Cl)c1	ZINC000044713466	343512822	/nfs/dbraw/zinc/51/28/22/343512822.db2.gz	BIOWNMPWORNJAG-UHFFFAOYSA-N	0	1	232.026	2.778	10	5		BFBEMN
Cc1cccc(C[C@@H](N)c2ccc([N+](=O)[O-])o2)c1	ZINC000052127148	179104219	/nfs/dbraw/zinc/10/42/19/179104219.db2.gz	NLMIUXZGSGJHSI-LLVKDONJSA-N	0	1	246.266	2.739	10	5		BFBEMN
O=[N+]([O-])c1cc2[nH]nc(Cl)c2cc1Cl	ZINC000096321174	371469397	/nfs/dbraw/zinc/46/93/97/371469397.db2.gz	HFQLCQUHDTXBPO-UHFFFAOYSA-N	0	1	232.026	2.778	10	5		BFBEMN
Nc1cc(Oc2ccc([N+](=O)[O-])c(F)c2)ccn1	ZINC000095933528	388791934	/nfs/dbraw/zinc/79/19/34/388791934.db2.gz	PQABCDBTGRKXFR-UHFFFAOYSA-N	0	1	249.201	2.503	10	5		BFBEMN
Cc1cccc(C[C@H](N)c2ccc([N+](=O)[O-])o2)c1	ZINC000052127147	179106036	/nfs/dbraw/zinc/10/60/36/179106036.db2.gz	NLMIUXZGSGJHSI-NSHDSACASA-N	0	1	246.266	2.739	10	5		BFBEMN
CC(C)(C)[C@H](N)c1ccc([N+](=O)[O-])s1	ZINC000238174339	387787547	/nfs/dbraw/zinc/78/75/47/387787547.db2.gz	QMHAUTKHUPMCNC-MRVPVSSYSA-N	0	1	214.290	2.702	10	5		BFBEMN
CCN[C@H](c1ccc([N+](=O)[O-])o1)c1ccccc1	ZINC000035540427	170148801	/nfs/dbraw/zinc/14/88/01/170148801.db2.gz	KDAMSCDAINMEQF-ZDUSSCGKSA-N	0	1	246.266	2.887	10	5		BFBEMN
CCN1Cc2cc([N+](=O)[O-])ccc2C(C)(C)C1	ZINC000143783340	374249944	/nfs/dbraw/zinc/24/99/44/374249944.db2.gz	HSDSEKZSFCGEMQ-UHFFFAOYSA-N	0	1	234.299	2.708	10	5		BFBEMN
O=c1cc(O)c2cccc3c4ccccc4n1c32	ZINC000002144988	342716096	/nfs/dbraw/zinc/71/60/96/342716096.db2.gz	WAUSMTNXPUNZOO-UHFFFAOYSA-N	0	1	235.242	2.749	10	5		BFBEMN
O=[N+]([O-])c1cc(O)cc2sc(Cl)nc21	ZINC000044712842	352384406	/nfs/dbraw/zinc/38/44/06/352384406.db2.gz	OTJNUCKQAHQZPK-UHFFFAOYSA-N	0	1	230.632	2.564	10	5		BFBEMN
CC(C)(C)[C@@H](N)c1ccc([N+](=O)[O-])s1	ZINC000238140401	360610198	/nfs/dbraw/zinc/61/01/98/360610198.db2.gz	QMHAUTKHUPMCNC-QMMMGPOBSA-N	0	1	214.290	2.702	10	5		BFBEMN
O=c1cc(O)c2cc3ccccc3[nH]c-2c1	ZINC000140725587	359580308	/nfs/dbraw/zinc/58/03/08/359580308.db2.gz	FVRSZDRUQOAXGS-UHFFFAOYSA-N	0	1	211.220	2.799	10	5		BFBEMN
CC(C)(Cc1cnc(-c2ccccc2)[nH]1)[N+](=O)[O-]	ZINC000116171249	370739841	/nfs/dbraw/zinc/73/98/41/370739841.db2.gz	KPLGJLRESZZWIX-UHFFFAOYSA-N	0	1	245.282	2.675	10	5		BFBEMN
O=[N+]([O-])c1cc2c(cc1O)CCCCC2	ZINC000143569221	345904737	/nfs/dbraw/zinc/90/47/37/345904737.db2.gz	XPEARBPFYDIBPJ-UHFFFAOYSA-N	0	1	207.229	2.569	10	5		BFBEMN