smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1cc2cccnc2c2ncccc12	38312780	571754519	/nfs/dbraw/zinc/75/45/19/571754519.db2.gz	SNBOLBZXDXGTEB-UHFFFAOYSA-N	-1	3	196.209	2.489	10	5		AEBEHM
CCc1cc(F)c([N+](=O)[O-])cc1[O-]	113016008	572203638	/nfs/dbraw/zinc/20/36/38/572203638.db2.gz	NOWANUDDJCQIEU-UHFFFAOYSA-N	-1	3	185.154	2.002	10	5		AEBEHM
CC(C)c1c(N)cc([N+](=O)[O-])cc1[O-]	116342670	573266968	/nfs/dbraw/zinc/26/69/68/573266968.db2.gz	YBGKSJCLNCEGEN-UHFFFAOYSA-N	-1	3	196.206	2.006	10	5		AEBEHM
CC(C)c1nc([N+](=O)[O-])c(Cl)[n-]1	216315137	573301766	/nfs/dbraw/zinc/30/17/66/573301766.db2.gz	YPCGWWSYKPDHFK-UHFFFAOYSA-N	-1	3	189.602	2.095	10	5		AEBEHM
C/C(=C/c1ccc([O-])cc1)[N+](=O)[O-]	5411913	166050110	/nfs/dbraw/zinc/05/01/10/166050110.db2.gz	PWVYGCHRAHNBFI-SREVYHEPSA-N	-1	3	179.175	2.030	10	5		AEBEHM
C/C(=C\c1ccc([O-])c(C)c1)[N+](=O)[O-]	2244094	166052248	/nfs/dbraw/zinc/05/22/48/166052248.db2.gz	PHERUAXWWHDVMN-SOFGYWHQSA-N	-1	3	193.202	2.338	10	5		AEBEHM
CCCNc1ccc([O-])cc1[N+](=O)[O-]	37163021	167005707	/nfs/dbraw/zinc/00/57/07/167005707.db2.gz	ATHQLRRWTLURNE-UHFFFAOYSA-N	-1	3	196.206	2.122	10	5		AEBEHM
CCCNc1ccc([N+](=O)[O-])cc1[O-]	83342464	167006239	/nfs/dbraw/zinc/00/62/39/167006239.db2.gz	OQYJEZNQPAYTBC-UHFFFAOYSA-N	-1	3	196.206	2.122	10	5		AEBEHM
CCCNc1c([O-])cccc1[N+](=O)[O-]	83342462	167007140	/nfs/dbraw/zinc/00/71/40/167007140.db2.gz	HPIYNYYPYKGKQJ-UHFFFAOYSA-N	-1	3	196.206	2.122	10	5		AEBEHM
CC/C(=C\c1ccc([O-])cc1)[N+](=O)[O-]	42905882	343250508	/nfs/dbraw/zinc/25/05/08/343250508.db2.gz	MZAYYQVOAIEQSK-VQHVLOKHSA-N	-1	3	193.202	2.420	10	5		AEBEHM
Cc1c([O-])ccc(Cl)c1[N+](=O)[O-]	137960427	343987323	/nfs/dbraw/zinc/98/73/23/343987323.db2.gz	MABWSFKSRLGRNX-UHFFFAOYSA-N	-1	3	187.582	2.262	10	5		AEBEHM
CCOc1c([O-])cc(C)cc1[N+](=O)[O-]	575699360	352889245	/nfs/dbraw/zinc/88/92/45/352889245.db2.gz	UTTZJEHVMXVCND-UHFFFAOYSA-N	-1	3	197.190	2.008	10	5		AEBEHM
CCOc1cc([O-])c(C)c([N+](=O)[O-])c1	575698826	352889385	/nfs/dbraw/zinc/88/93/85/352889385.db2.gz	LBGSYTQHRPVPGS-UHFFFAOYSA-N	-1	3	197.190	2.008	10	5		AEBEHM
CCOc1cc([N+](=O)[O-])cc([O-])c1C	575699397	352889675	/nfs/dbraw/zinc/88/96/75/352889675.db2.gz	VNHXRDVTDGPHQA-UHFFFAOYSA-N	-1	3	197.190	2.008	10	5		AEBEHM
CCOc1cc(C)c([N+](=O)[O-])cc1[O-]	575698858	352889737	/nfs/dbraw/zinc/88/97/37/352889737.db2.gz	MLZBLTWHWZTYOJ-UHFFFAOYSA-N	-1	3	197.190	2.008	10	5		AEBEHM
CCOc1c(C)cc([N+](=O)[O-])cc1[O-]	575698629	352889814	/nfs/dbraw/zinc/88/98/14/352889814.db2.gz	BMHNOIXGIJJDNB-UHFFFAOYSA-N	-1	3	197.190	2.008	10	5		AEBEHM
CCOc1c([N+](=O)[O-])ccc(C)c1[O-]	575699915	352889826	/nfs/dbraw/zinc/88/98/26/352889826.db2.gz	YKUFHZLGLFZILJ-UHFFFAOYSA-N	-1	3	197.190	2.008	10	5		AEBEHM
CCCc1ccc([O-])cc1[N+](=O)[O-]	78237042	573898694	/nfs/dbraw/zinc/89/86/94/573898694.db2.gz	VJXUTJHEXFVFTE-UHFFFAOYSA-N	-1	3	181.191	2.253	10	5		AEBEHM