smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000037247450	188287067	/nfs/dbraw/zinc/28/70/67/188287067.db2.gz	HYLCDKSKDUGEPS-UHFFFAOYSA-N	0	3	235.287	2.101	40	5		BEBBHN
Cc1cc(CNC2CC2)ccc1[N+](=O)[O-]	ZINC000098181623	178018568	/nfs/dbraw/zinc/01/85/68/178018568.db2.gz	FIAGZXBARWZFHN-UHFFFAOYSA-N	0	3	206.245	2.155	40	5		BEBBHN
NCc1c([N+](=O)[O-])cccc1C(F)(F)F	ZINC000169801791	387869588	/nfs/dbraw/zinc/86/95/88/387869588.db2.gz	LVWZWNUYHYOALX-UHFFFAOYSA-N	0	3	220.150	2.072	40	5		BEBBHN
NCc1ccc2ccccc2c1[N+](=O)[O-]	ZINC000196400123	398259018	/nfs/dbraw/zinc/25/90/18/398259018.db2.gz	VTDNIIGIAKXLGY-UHFFFAOYSA-N	0	3	202.213	2.207	40	5		BEBBHN
CCCNCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000002565869	169267050	/nfs/dbraw/zinc/26/70/50/169267050.db2.gz	OASDJEWRVUUCPB-UHFFFAOYSA-N	0	3	239.231	2.003	40	5		BEBBHN
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C	ZINC000091356220	388627344	/nfs/dbraw/zinc/62/73/44/388627344.db2.gz	YFPUDXLNZBCCMI-QWRGUYRKSA-N	0	3	249.314	2.124	40	5		BEBBHN
CCCN1CCc2cc([N+](=O)[O-])ccc2C1	ZINC000218744329	169208241	/nfs/dbraw/zinc/20/82/41/169208241.db2.gz	AERNRMOCLUNWEX-UHFFFAOYSA-N	0	3	220.272	2.363	40	5		BEBBHN
O=C(CCN1CCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000001718682	357171751	/nfs/dbraw/zinc/17/17/51/357171751.db2.gz	JQALEHUXWPLHJW-UHFFFAOYSA-N	0	3	248.282	2.263	40	5		BEBBHN
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C	ZINC000091356218	388627484	/nfs/dbraw/zinc/62/74/84/388627484.db2.gz	YFPUDXLNZBCCMI-PHIMTYICSA-N	0	3	249.314	2.124	40	5		BEBBHN
CCC(CC(=O)c1ccccc1)[N+](=O)[O-]	ZINC000022129822	383963134	/nfs/dbraw/zinc/96/31/34/383963134.db2.gz	YLQMBGMZWJYCSW-SNVBAGLBSA-N	0	3	207.229	2.315	40	5		BEBBHN
CC(C)N1CCc2cc([N+](=O)[O-])ccc2C1	ZINC000218744488	167029050	/nfs/dbraw/zinc/02/90/50/167029050.db2.gz	GZBCTXFHQJTEQV-UHFFFAOYSA-N	0	3	220.272	2.361	40	5		BEBBHN
O=[N+]([O-])C1[C@H]2C=C[C@H](C2)[C@@H]1c1ccco1	ZINC000017194812	363045081	/nfs/dbraw/zinc/04/50/81/363045081.db2.gz	GJUPVGNLPWPQKP-MKHNBGRSSA-N	0	3	205.213	2.214	40	5		BEBBHN
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1C	ZINC000091356222	388627256	/nfs/dbraw/zinc/62/72/56/388627256.db2.gz	YFPUDXLNZBCCMI-GHMZBOCLSA-N	0	3	249.314	2.124	40	5		BEBBHN
O=[N+]([O-])C1[C@H]2C=C[C@H](C2)[C@H]1c1ccco1	ZINC000005889054	411417716	/nfs/dbraw/zinc/41/77/16/411417716.db2.gz	GJUPVGNLPWPQKP-IFFSRLJSSA-N	0	3	205.213	2.214	40	5		BEBBHN
CSCCCNCc1ccc([N+](=O)[O-])cc1	ZINC000001576403	386945935	/nfs/dbraw/zinc/94/59/35/386945935.db2.gz	KFVZNVSNFIJBPR-UHFFFAOYSA-N	0	3	240.328	2.438	40	5		BEBBHN
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1CN(C)C	ZINC000001719414	357171681	/nfs/dbraw/zinc/17/16/81/357171681.db2.gz	KFJWUQVRJLJPGL-UHFFFAOYSA-N	0	3	233.271	2.446	40	5		BEBBHN
O=[N+]([O-])c1cc(C(F)(F)F)cc2c1CCNC2	ZINC000030678444	371958395	/nfs/dbraw/zinc/95/83/95/371958395.db2.gz	ZJIALSASTQNZBG-UHFFFAOYSA-N	0	3	246.188	2.259	40	5		BEBBHN
NCc1cccc(C(F)(F)F)c1[N+](=O)[O-]	ZINC000169801718	387868463	/nfs/dbraw/zinc/86/84/63/387868463.db2.gz	FECRIFGARHDPAX-UHFFFAOYSA-N	0	3	220.150	2.072	40	5		BEBBHN
CCC(CC(=O)c1ccccc1)[N+](=O)[O-]	ZINC000022129821	383962374	/nfs/dbraw/zinc/96/23/74/383962374.db2.gz	YLQMBGMZWJYCSW-JTQLQIEISA-N	0	3	207.229	2.315	40	5		BEBBHN