smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNNc1ncnc(Cl)c1[N+](=O)[O-]	ZINC000575450338	386791190	/nfs/dbraw/zinc/79/11/90/386791190.db2.gz	ARNFFJAYULMJDM-UHFFFAOYSA-N	0	2	203.589	0.585	10	5		BCBELN
CCOC(=O)Cc1cc(N)cc(O)c1[N+](=O)[O-]	ZINC000575724967	387460353	/nfs/dbraw/zinc/46/03/53/387460353.db2.gz	OVRUXZHARGXKTM-UHFFFAOYSA-N	0	2	240.215	0.988	10	5		BCBELN
CS(=O)(=O)c1cc(O)cc([N+](=O)[O-])c1	ZINC000118898546	343519089	/nfs/dbraw/zinc/51/90/89/343519089.db2.gz	AVGHXDRWPDMXOL-UHFFFAOYSA-N	0	2	217.202	0.704	10	5		BCBELN
Cc1c(O)c([N+](=O)[O-])c2n(c1=O)CCS2	ZINC000091691955	177621266	/nfs/dbraw/zinc/62/12/66/177621266.db2.gz	DWPQRKFZVJIGAA-UHFFFAOYSA-N	0	2	228.229	0.876	10	5		BCBELN
O=C1COCCN1c1cc([N+](=O)[O-])ccc1O	ZINC000725244838	537998584	/nfs/dbraw/zinc/99/85/84/537998584.db2.gz	YDCDSOWPJFMLLN-UHFFFAOYSA-N	0	2	238.199	0.664	10	5		BCBELN
O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CCCN1	ZINC000262438592	135299510	/nfs/dbraw/zinc/29/95/10/135299510.db2.gz	UQLJBXIPTYBKCR-UHFFFAOYSA-N	0	2	237.215	0.651	10	5		BCBELN
Cc1cccc2nc3c(=O)[nH]c(=O)nc-3n(C)c12	ZINC000001863078	179232242	/nfs/dbraw/zinc/23/22/42/179232242.db2.gz	GHAWITAKRQGSSL-UHFFFAOYSA-N	0	2	242.238	0.430	10	5		BCBELN
CC(C)Oc1ncnc(NN)c1[N+](=O)[O-]	ZINC000040656747	167315894	/nfs/dbraw/zinc/31/58/94/167315894.db2.gz	RTVRVKLGTUNDDU-UHFFFAOYSA-N	0	2	213.197	0.458	10	5		BCBELN
CSc1nc(NN)ncc1[N+](=O)[O-]	ZINC000235072619	344762996	/nfs/dbraw/zinc/76/29/96/344762996.db2.gz	GCGDHSDHRZEDMV-UHFFFAOYSA-N	0	2	201.211	0.392	10	5		BCBELN
CC(=O)Nc1nc(Cl)c([N+](=O)[O-])c(=O)[nH]1	ZINC000017352903	187588064	/nfs/dbraw/zinc/58/80/64/187588064.db2.gz	YBOCORODVPIHME-UHFFFAOYSA-N	0	2	232.583	0.702	10	5		BCBELN
CC(C)(C)c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	ZINC000075252081	356913939	/nfs/dbraw/zinc/91/39/39/356913939.db2.gz	ZOIGXLMNFIXMCK-UHFFFAOYSA-N	0	2	213.193	0.269	10	5		BCBELN
NNc1nc2c3ccccc3[nH]c(=O)c2c(=O)[nH]1	ZINC000584625506	358294289	/nfs/dbraw/zinc/29/42/89/358294289.db2.gz	ROCFJFAERLPMGV-UHFFFAOYSA-N	0	2	243.226	0.875	10	5		BCBELN
CCOC(=O)Cc1c(N)ccc([N+](=O)[O-])c1O	ZINC000575724545	387438273	/nfs/dbraw/zinc/43/82/73/387438273.db2.gz	IGDNIJKVMQHHOU-UHFFFAOYSA-N	0	2	240.215	0.988	10	5		BCBELN
COC(=O)CCC([C@H](O)C(F)(F)F)[N+](=O)[O-]	ZINC000196730019	347518743	/nfs/dbraw/zinc/51/87/43/347518743.db2.gz	NAMTZBPOMKLYGC-NJGYIYPDSA-N	0	2	245.153	0.508	10	5		BCBELN
O=[N+]([O-])c1cccc2c1CS(=O)(=O)N2	ZINC000038540323	372698592	/nfs/dbraw/zinc/69/85/92/372698592.db2.gz	XALUWAFYGGSKOL-UHFFFAOYSA-N	0	2	214.202	0.850	10	5		BCBELN
CCn1c2ccccc2nc2c(=O)[nH]c(=O)nc1-2	ZINC000029132383	172148213	/nfs/dbraw/zinc/14/82/13/172148213.db2.gz	RUYMNASKORGVPO-UHFFFAOYSA-N	0	2	242.238	0.605	10	5		BCBELN
COc1ccc2cc3c(=O)[nH]c(=O)nc-3oc2c1	ZINC000001438812	175225994	/nfs/dbraw/zinc/22/59/94/175225994.db2.gz	RBIYYCJHLZQGTM-UHFFFAOYSA-N	0	2	244.206	0.990	10	5		BCBELN
CCOc1nc(O)c([N+](=O)[O-])c(=O)s1	ZINC000039100382	372868480	/nfs/dbraw/zinc/86/84/80/372868480.db2.gz	LZGMPXGUVAVRNZ-UHFFFAOYSA-N	0	2	218.190	0.516	10	5		BCBELN
CCOC(=O)Cc1ccc(N)c([N+](=O)[O-])c1O	ZINC000575724926	387459708	/nfs/dbraw/zinc/45/97/08/387459708.db2.gz	NPXPDTYASUEICU-UHFFFAOYSA-N	0	2	240.215	0.988	10	5		BCBELN
NS(=O)(=O)c1c(F)c(F)ccc1[N+](=O)[O-]	ZINC000053166097	355580628	/nfs/dbraw/zinc/58/06/28/355580628.db2.gz	FTCPDOGKRVCSPI-UHFFFAOYSA-N	0	2	238.171	0.520	10	5		BCBELN
COC(=O)c1cc([N+](=O)[O-])c(O)cc1N	ZINC000308763771	342870138	/nfs/dbraw/zinc/87/01/38/342870138.db2.gz	VQMGWYZSSICCLA-UHFFFAOYSA-N	0	2	212.161	0.669	10	5		BCBELN