smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004795544	344246979	/nfs/dbraw/zinc/24/69/79/344246979.db2.gz	INIGODASXCUILV-SSDOTTSWSA-N	-1	1	241.159	0.587	50	5		BCBAMM
CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000012792456	170100854	/nfs/dbraw/zinc/10/08/54/170100854.db2.gz	FLSYBSDUKWOPDN-UHFFFAOYSA-N	-1	1	211.177	0.033	50	5		BCBAMM
O=C1NC(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)N1	ZINC000013546537	343564509	/nfs/dbraw/zinc/56/45/09/343564509.db2.gz	BDFAXSQHSAMCFA-ZZXKWVIFSA-N	-1	1	249.182	0.481	50	5		BCBAMM
Cc1c(C(=O)Nc2nnn[n-]2)cccc1[N+](=O)[O-]	ZINC000006200713	357126536	/nfs/dbraw/zinc/12/65/36/357126536.db2.gz	UFEVZCMKYVVXTE-UHFFFAOYSA-N	-1	1	248.202	0.669	50	5		BCBAMM
Cc1c(C(=O)Nc2nn[n-]n2)cccc1[N+](=O)[O-]	ZINC000006200713	357126540	/nfs/dbraw/zinc/12/65/40/357126540.db2.gz	UFEVZCMKYVVXTE-UHFFFAOYSA-N	-1	1	248.202	0.669	50	5		BCBAMM
Cc1[n-]c(=O)c2c(c1[N+](=O)[O-])COC2=O	ZINC000000098849	344329435	/nfs/dbraw/zinc/32/94/35/344329435.db2.gz	LAKPWIPRNZPABO-UHFFFAOYSA-N	-1	1	210.145	0.262	50	5		BCBAMM
O=[N+]([O-])c1cc([S@@](=O)[O-])ccc1O	ZINC000125976582	541411934	/nfs/dbraw/zinc/41/19/34/541411934.db2.gz	GBOGNOIDOXORLM-UHFFFAOYSA-N	-1	1	203.175	0.881	50	5		BCBAMM
CS(=O)(=O)[N-]c1ccc([N+](=O)[O-])cc1	ZINC000005211163	384711905	/nfs/dbraw/zinc/71/19/05/384711905.db2.gz	AXEHDVUAWILBRN-UHFFFAOYSA-N	-1	1	216.218	0.966	50	5		BCBAMM
O=[N+]([O-])c1cc(O)cc(S(=O)(=O)[O-])c1	ZINC000012846530	370966876	/nfs/dbraw/zinc/96/68/76/370966876.db2.gz	NPGPMHKPZAMEHP-UHFFFAOYSA-N	-1	1	219.174	0.547	50	5		BCBAMM
O=C1OCCN1N=c1ccc([N+](=O)[O-])c[n-]1	ZINC000004419348	527093692	/nfs/dbraw/zinc/09/36/92/527093692.db2.gz	ZMDVJZJQRGVHQU-UHFFFAOYSA-N	-1	1	224.176	0.769	50	5		BCBAMM
O=[N+]([O-])c1nc[n-]c1C1=NC(=S)N=N1	ZINC000004476006	342873074	/nfs/dbraw/zinc/87/30/74/342873074.db2.gz	YPMPRXLWSJXBJE-UHFFFAOYSA-N	-1	1	210.178	0.815	50	5		BCBAMM
O=[N+]([O-])c1cc(-n2cnnc2)ccc1[O-]	ZINC000085345218	188316996	/nfs/dbraw/zinc/31/69/96/188316996.db2.gz	MYQJTOLGJOVWMM-UHFFFAOYSA-N	-1	1	206.161	0.881	50	5		BCBAMM
N[C@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004795543	181609177	/nfs/dbraw/zinc/60/91/77/181609177.db2.gz	INIGODASXCUILV-ZETCQYMHSA-N	-1	1	241.159	0.587	50	5		BCBAMM
O=[N+]([O-])c1cc(O)c([N+](=O)[O-])cc1[O-]	ZINC000095482938	388777638	/nfs/dbraw/zinc/77/76/38/388777638.db2.gz	YTTGBZFJDLAQRS-UHFFFAOYSA-N	-1	1	200.106	0.914	50	5		BCBAMM
Cc1cc([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])no1	ZINC000006413415	178153339	/nfs/dbraw/zinc/15/33/39/178153339.db2.gz	JPSNGXZCSOGMLG-UHFFFAOYSA-N	-1	1	237.175	0.867	50	5		BCBAMM
O=[N+]([O-])c1ccc(F)c(-c2nn[n-]n2)c1	ZINC000040350944	373198384	/nfs/dbraw/zinc/19/83/84/373198384.db2.gz	FPUYMBWDUWZGHY-UHFFFAOYSA-N	-1	1	209.140	0.914	50	5		BCBAMM
O=[N+]([O-])c1ccc(-n2cnnn2)c([O-])c1	ZINC000002248513	487955576	/nfs/dbraw/zinc/95/55/76/487955576.db2.gz	OEXFBTKZKUNNAC-UHFFFAOYSA-N	-1	1	207.149	0.276	50	5		BCBAMM
Cc1cc(C)n(C(=O)c2[n-]cnc2[N+](=O)[O-])n1	ZINC000004715195	343974322	/nfs/dbraw/zinc/97/43/22/343974322.db2.gz	HVUROEOAOOYNBT-UHFFFAOYSA-N	-1	1	235.203	0.820	50	5		BCBAMM
O=C(Nc1nnn[n-]1)c1cccc([N+](=O)[O-])c1	ZINC000005003907	384363985	/nfs/dbraw/zinc/36/39/85/384363985.db2.gz	BLTLHRYRXPDWMD-UHFFFAOYSA-N	-1	1	234.175	0.360	50	5		BCBAMM
O=C(Nc1nn[n-]n1)c1cccc([N+](=O)[O-])c1	ZINC000005003907	384363988	/nfs/dbraw/zinc/36/39/88/384363988.db2.gz	BLTLHRYRXPDWMD-UHFFFAOYSA-N	-1	1	234.175	0.360	50	5		BCBAMM
O=C1NC(=O)/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)N1	ZINC000100253436	191062709	/nfs/dbraw/zinc/06/27/09/191062709.db2.gz	BDFAXSQHSAMCFA-UTCJRWHESA-N	-1	1	249.182	0.481	50	5		BCBAMM
O=C([O-])c1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000038342316	364573178	/nfs/dbraw/zinc/57/31/78/364573178.db2.gz	IASSWUBTPXIYLD-UHFFFAOYSA-N	-1	1	249.182	0.772	50	5		BCBAMM
CS(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1	ZINC000000374095	383858685	/nfs/dbraw/zinc/85/86/85/383858685.db2.gz	AMOWOCUREJPCKE-UHFFFAOYSA-N	-1	1	216.218	0.966	50	5		BCBAMM
CC(=O)Nc1c(O)cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000003833968	188102097	/nfs/dbraw/zinc/10/20/97/188102097.db2.gz	JIDRTCHFBHJIDG-UHFFFAOYSA-N	-1	1	240.171	0.957	50	5	in-vivo	BCBAMM
O=c1[n-][nH]c(=O)c2cc([N+](=O)[O-])ccc12	ZINC000008580635	388406302	/nfs/dbraw/zinc/40/63/02/388406302.db2.gz	XQFIOLKLHNOFCA-UHFFFAOYSA-N	-1	1	207.145	0.125	50	5		BCBAMM
COc1cc([N+](=O)[O-])cc2c1[N-]C(=O)C2=O	ZINC000019401703	175017635	/nfs/dbraw/zinc/01/76/35/175017635.db2.gz	JPWXJPFTGAZICX-UHFFFAOYSA-N	-1	1	222.156	0.738	50	5		BCBAMM
CCOc1n[nH]c(C(=O)[O-])c1[N+](=O)[O-]	ZINC000039084933	372861624	/nfs/dbraw/zinc/86/16/24/372861624.db2.gz	BIRMXKBYQVCDSU-UHFFFAOYSA-N	-1	1	201.138	0.415	50	5		BCBAMM
O=C1[N-]C(=S)NC1=Cc1ccccc1[N+](=O)[O-]	ZINC000004908878	384205518	/nfs/dbraw/zinc/20/55/18/384205518.db2.gz	CPRWQXXTALWASC-ALCCZGGFSA-N	-1	1	249.251	0.940	50	5		BCBAMM
O=C1[N-]C(=S)NC1=Cc1ccc([N+](=O)[O-])o1	ZINC000000176935	344596895	/nfs/dbraw/zinc/59/68/95/344596895.db2.gz	FEFMSAZYTGHUJJ-HWKANZROSA-N	-1	1	239.212	0.944	50	5		BCBAMM
CCOC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000038537054	170293161	/nfs/dbraw/zinc/29/31/61/170293161.db2.gz	FRPVIVOIVRFMPE-UHFFFAOYSA-N	-1	1	212.161	0.460	50	5		BCBAMM
O=[N+]([O-])c1cc2c(cc1-c1nnn[n-]1)OCO2	ZINC000015081628	350894997	/nfs/dbraw/zinc/89/49/97/350894997.db2.gz	PJDYSCDPFFYIMP-UHFFFAOYSA-N	-1	1	235.159	0.504	50	5		BCBAMM
O=[N+]([O-])c1cc2c(cc1-c1nn[n-]n1)OCO2	ZINC000015081628	350895001	/nfs/dbraw/zinc/89/50/01/350895001.db2.gz	PJDYSCDPFFYIMP-UHFFFAOYSA-N	-1	1	235.159	0.504	50	5		BCBAMM
COc1cc(CC(=O)[O-])cc([N+](=O)[O-])c1O	ZINC000034566642	174977665	/nfs/dbraw/zinc/97/76/65/174977665.db2.gz	ZGIZIBATHAJGOD-UHFFFAOYSA-N	-1	1	227.172	0.936	50	5		BCBAMM
Nc1cc(S(=O)(=O)[O-])cc([N+](=O)[O-])c1O	ZINC000001908984	359102326	/nfs/dbraw/zinc/10/23/26/359102326.db2.gz	RHPXYZMDLOJTFF-UHFFFAOYSA-N	-1	1	234.189	0.129	50	5		BCBAMM
O=[N+]([O-])c1cc2nn[n-]c2c([N+](=O)[O-])c1	ZINC000019990331	371215622	/nfs/dbraw/zinc/21/56/22/371215622.db2.gz	KWIGQLMUBFNUKV-UHFFFAOYSA-N	-1	1	209.121	0.774	50	5		BCBAMM
O=[N+]([O-])c1cc2n[n-]nc2c([N+](=O)[O-])c1	ZINC000019990331	371215623	/nfs/dbraw/zinc/21/56/23/371215623.db2.gz	KWIGQLMUBFNUKV-UHFFFAOYSA-N	-1	1	209.121	0.774	50	5		BCBAMM
O=C1[N-]c2c(cc(F)cc2[N+](=O)[O-])C1=O	ZINC000019259645	384653549	/nfs/dbraw/zinc/65/35/49/384653549.db2.gz	WGBLCTOGPSHGGJ-UHFFFAOYSA-N	-1	1	210.120	0.869	50	5		BCBAMM
O=C(Nc1nn[n-]n1)c1ccccc1[N+](=O)[O-]	ZINC000006473641	387232772	/nfs/dbraw/zinc/23/27/72/387232772.db2.gz	HIKKGCYAILVAHC-UHFFFAOYSA-N	-1	1	234.175	0.360	50	5		BCBAMM
O=C1[N-]C(=S)NC1=Cc1ccc([N+](=O)[O-])cc1	ZINC000012648432	388721905	/nfs/dbraw/zinc/72/19/05/388721905.db2.gz	BVELKCKHIGDJDW-YVMONPNESA-N	-1	1	249.251	0.940	50	5		BCBAMM