smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CN	ZINC000079420840	370657286	/nfs/dbraw/zinc/65/72/86/370657286.db2.gz	BJEKIQZIYYTEFS-UHFFFAOYSA-N	0	3	237.259	0.902	40	5		BCBBHN
CN(C)[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000002561228	371586060	/nfs/dbraw/zinc/58/60/60/371586060.db2.gz	WKFXOUSFZMOKOH-QWRGUYRKSA-N	0	3	240.259	0.551	40	5		BCBBHN
O=[N+]([O-])c1ccc(OC[C@@H]2CNCCO2)cc1	ZINC000083860201	384910806	/nfs/dbraw/zinc/91/08/06/384910806.db2.gz	UFWMAKQTLPXLGR-NSHDSACASA-N	0	3	238.243	0.962	40	5		BCBBHN
O=[N+]([O-])C1CCN(Cc2ccccc2)[C@H]1O	ZINC000013535499	346951020	/nfs/dbraw/zinc/95/10/20/346951020.db2.gz	GJSZKSQTYVGJMO-MNOVXSKESA-N	0	3	222.244	0.856	40	5		BCBBHN
O=[N+]([O-])c1ccc([C@H]2CNCCN2)cc1	ZINC000004203756	372165830	/nfs/dbraw/zinc/16/58/30/372165830.db2.gz	WWRUGVIJFUXWFW-SNVBAGLBSA-N	0	3	207.233	0.829	40	5		BCBBHN
O=c1cc[n+]([O-])c(-c2cccc([N+](=O)[O-])c2)[nH]1	ZINC000226825227	388355294	/nfs/dbraw/zinc/35/52/94/388355294.db2.gz	UVWUPAMZVSJYIJ-UHFFFAOYSA-N	0	3	233.183	0.584	40	5		BCBBHN
O=c1cc[n+](O)c(-c2cccc([N+](=O)[O-])c2)[n-]1	ZINC000226825227	388355296	/nfs/dbraw/zinc/35/52/96/388355296.db2.gz	UVWUPAMZVSJYIJ-UHFFFAOYSA-N	0	3	233.183	0.584	40	5		BCBBHN
O=[N+]([O-])C1CCN(Cc2ccccc2)[C@@H]1O	ZINC000013535487	343520680	/nfs/dbraw/zinc/52/06/80/343520680.db2.gz	GJSZKSQTYVGJMO-WDEREUQCSA-N	0	3	222.244	0.856	40	5		BCBBHN
C[C@H](N)C(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000037668483	364457557	/nfs/dbraw/zinc/45/75/57/364457557.db2.gz	XELDMMLRFWNMOD-ZETCQYMHSA-N	0	3	223.232	0.558	40	5		BCBBHN
O=[N+]([O-])c1ccc([C@@H]2CNCCN2)cc1	ZINC000004203755	372166421	/nfs/dbraw/zinc/16/64/21/372166421.db2.gz	WWRUGVIJFUXWFW-JTQLQIEISA-N	0	3	207.233	0.829	40	5		BCBBHN
CCOCCCNCc1cc([N+](=O)[O-])nn1C	ZINC000408715719	384351964	/nfs/dbraw/zinc/35/19/64/384351964.db2.gz	CWDXLBHDXMJEPG-UHFFFAOYSA-N	0	3	242.279	0.845	40	5		BCBBHN
COCCCNCc1cc([N+](=O)[O-])nn1C	ZINC000408717305	384353128	/nfs/dbraw/zinc/35/31/28/384353128.db2.gz	YDPIVORWMCWWQH-UHFFFAOYSA-N	0	3	228.252	0.454	40	5		BCBBHN
O=[N+]([O-])c1cccc(OC[C@H]2CNCCO2)c1	ZINC000080760364	259323365	/nfs/dbraw/zinc/32/33/65/259323365.db2.gz	RNYZSTAAKUCYPH-LLVKDONJSA-N	0	3	238.243	0.962	40	5		BCBBHN
NCC(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000052943184	181354520	/nfs/dbraw/zinc/35/45/20/181354520.db2.gz	UZOCMSVGFYMDTJ-UHFFFAOYSA-N	0	3	209.205	0.170	40	5		BCBBHN
O=[N+]([O-])c1ccccc1OC[C@@H]1CNCCO1	ZINC000080745177	388713588	/nfs/dbraw/zinc/71/35/88/388713588.db2.gz	HTDGBNBKVQVFOZ-VIFPVBQESA-N	0	3	238.243	0.962	40	5		BCBBHN
CN(Cc1cccc([N+](=O)[O-])c1)C(=O)CN	ZINC000037810930	388575949	/nfs/dbraw/zinc/57/59/49/388575949.db2.gz	TYZVSXGHFFNZSQ-UHFFFAOYSA-N	0	3	223.232	0.512	40	5		BCBBHN
NCC(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000037668450	181353397	/nfs/dbraw/zinc/35/33/97/181353397.db2.gz	FPKAYPDWPLXRKZ-UHFFFAOYSA-N	0	3	209.205	0.170	40	5		BCBBHN
NCC(=S)n1nnc2ccc([N+](=O)[O-])cc21	ZINC000075629723	181357815	/nfs/dbraw/zinc/35/78/15/181357815.db2.gz	UJQZVSPRRUITEG-UHFFFAOYSA-N	0	3	237.244	0.474	40	5		BCBBHN
C[C@H](N)C(=O)N(C)Cc1ccc([N+](=O)[O-])cc1	ZINC000079420896	176745716	/nfs/dbraw/zinc/74/57/16/176745716.db2.gz	AWPQDCDEPRNHHI-QMMMGPOBSA-N	0	3	237.259	0.900	40	5		BCBBHN
O=[N+]([O-])C1CCN(Cc2ccccc2)[C@H]1O	ZINC000013535491	343520675	/nfs/dbraw/zinc/52/06/75/343520675.db2.gz	GJSZKSQTYVGJMO-QWRGUYRKSA-N	0	3	222.244	0.856	40	5		BCBBHN
O=[N+]([O-])C1CCN(Cc2ccccc2)[C@@H]1O	ZINC000013535495	346951328	/nfs/dbraw/zinc/95/13/28/346951328.db2.gz	GJSZKSQTYVGJMO-GHMZBOCLSA-N	0	3	222.244	0.856	40	5		BCBBHN
CN(C)[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000003304830	371949638	/nfs/dbraw/zinc/94/96/38/371949638.db2.gz	WKFXOUSFZMOKOH-GHMZBOCLSA-N	0	3	240.259	0.551	40	5		BCBBHN
CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)CN	ZINC000079420821	388695307	/nfs/dbraw/zinc/69/53/07/388695307.db2.gz	VPTGOJDJEPLSCJ-UHFFFAOYSA-N	0	3	223.232	0.512	40	5		BCBBHN
O=[N+]([O-])c1cccc(OC[C@@H]2CNCCO2)c1	ZINC000080760362	388713225	/nfs/dbraw/zinc/71/32/25/388713225.db2.gz	RNYZSTAAKUCYPH-NSHDSACASA-N	0	3	238.243	0.962	40	5		BCBBHN
CNCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000026513829	173335357	/nfs/dbraw/zinc/33/53/57/173335357.db2.gz	OROYIUNPGZBOTP-UHFFFAOYSA-N	0	3	209.205	0.753	40	5		BCBBHN
CN(C)C[C@@H](O)COc1ccc([N+](=O)[O-])cc1	ZINC000004917623	384212434	/nfs/dbraw/zinc/21/24/34/384212434.db2.gz	PCCRZPIJPREQTI-SNVBAGLBSA-N	0	3	240.259	0.896	40	5		BCBBHN
NCc1ccc([C@H]2CNC(=O)C2)c([N+](=O)[O-])c1	ZINC000199775794	384540151	/nfs/dbraw/zinc/54/01/51/384540151.db2.gz	SJEVUPANEHLLNL-MRVPVSSYSA-N	0	3	235.243	0.657	40	5		BCBBHN
CCN(Cc1ccc([N+](=O)[O-])cc1)C(=O)CN	ZINC000079420838	370656956	/nfs/dbraw/zinc/65/69/56/370656956.db2.gz	KHARJCYQBSLQAY-UHFFFAOYSA-N	0	3	237.259	0.902	40	5		BCBBHN
CN(C)C[C@H](O)COc1ccc([N+](=O)[O-])cc1	ZINC000004917620	384210952	/nfs/dbraw/zinc/21/09/52/384210952.db2.gz	PCCRZPIJPREQTI-JTQLQIEISA-N	0	3	240.259	0.896	40	5		BCBBHN
COc1cc(C(=N)N)c([N+](=O)[O-])cc1OC	ZINC000199559426	384524167	/nfs/dbraw/zinc/52/41/67/384524167.db2.gz	NSHUFAHSIPDPPW-UHFFFAOYSA-N	0	3	225.204	0.896	40	5		BCBBHN
C[C@H](N)C(=O)N(C)Cc1cccc([N+](=O)[O-])c1	ZINC000037810939	367982940	/nfs/dbraw/zinc/98/29/40/367982940.db2.gz	PSKNWBSLJFZECW-QMMMGPOBSA-N	0	3	237.259	0.900	40	5		BCBBHN
C[C@H](N)C(=O)NCc1cccc([N+](=O)[O-])c1	ZINC000028133189	371573240	/nfs/dbraw/zinc/57/32/40/371573240.db2.gz	KQXYOMCEWZXKAE-ZETCQYMHSA-N	0	3	223.232	0.558	40	5		BCBBHN
O=[N+]([O-])c1ccccc1OC[C@H]1CNCCO1	ZINC000080745178	388713803	/nfs/dbraw/zinc/71/38/03/388713803.db2.gz	HTDGBNBKVQVFOZ-SECBINFHSA-N	0	3	238.243	0.962	40	5		BCBBHN
O=[N+]([O-])c1ccc(OC[C@H]2CNCCO2)cc1	ZINC000080760359	388713308	/nfs/dbraw/zinc/71/33/08/388713308.db2.gz	UFWMAKQTLPXLGR-LLVKDONJSA-N	0	3	238.243	0.962	40	5		BCBBHN
NCc1ccc([C@@H]2CNC(=O)C2)c([N+](=O)[O-])c1	ZINC000199775812	398206699	/nfs/dbraw/zinc/20/66/99/398206699.db2.gz	SJEVUPANEHLLNL-QMMMGPOBSA-N	0	3	235.243	0.657	40	5		BCBBHN