smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(CNC(N)=O)([N+](=O)[O-])[N+](=O)[O-]	19324794	166653406	/nfs/dbraw/zinc/65/34/06/166653406.db2.gz	QEQDTVVNSGUGCW-UHFFFAOYSA-N	0	0	192.131	-1.076	50	5		AABARN
CN(C)N/C(=C/[N+](=O)[O-])NN	2508363	167848623	/nfs/dbraw/zinc/84/86/23/167848623.db2.gz	LLCWOMCUEVIWDT-ONEGZZNKSA-N	0	0	161.165	-1.409	50	5		AABARN
CNC(=C[N+](=O)[O-])NN	1385212	167894066	/nfs/dbraw/zinc/89/40/66/167894066.db2.gz	ROJVFBYTQKEHNL-IHWYPQMZSA-N	0	0	132.123	-1.255	50	5		AABARN
Cn1cc([N+](=O)[O-])c(=O)n(C)c1=O	967242	169043786	/nfs/dbraw/zinc/04/37/86/169043786.db2.gz	SDLBIQNBDPOOPJ-UHFFFAOYSA-N	0	0	185.139	-1.008	50	5	in-vitro	AABARN
Cn1nc([N+](=O)[O-])c(=O)n2ncnc12	1064787	169062838	/nfs/dbraw/zinc/06/28/38/169062838.db2.gz	BCKMMROKSGOWJG-UHFFFAOYSA-N	0	0	196.126	-1.269	50	5		AABARN
Cn1nc([N+](=O)[O-])c[n+]1[O-]	5344138	169063980	/nfs/dbraw/zinc/06/39/80/169063980.db2.gz	AIOXQTXOWLJLCY-UHFFFAOYSA-N	0	0	144.090	-1.038	50	5		AABARN
NC(=O)Cn1cnc([N+](=O)[O-])n1	1094009	169155654	/nfs/dbraw/zinc/15/56/54/169155654.db2.gz	LSLXQACWPYRWKG-UHFFFAOYSA-N	0	0	171.116	-1.328	50	5		AABARN
NC(=O)c1cn(N)nc1[N+](=O)[O-]	4460103	169165187	/nfs/dbraw/zinc/16/51/87/169165187.db2.gz	HRAQDMHGTLVVPS-UHFFFAOYSA-N	0	0	171.116	-1.396	50	5		AABARN
NN=c1nc[nH]c(NN)c1[N+](=O)[O-]	4791958	169239564	/nfs/dbraw/zinc/23/95/64/169239564.db2.gz	VCEOYUUKNWGAOT-UHFFFAOYSA-N	0	0	185.147	-1.044	50	5		AABARN
Nc1nc(N)n2c([N+](=O)[O-])nnc2n1	4558145	169305404	/nfs/dbraw/zinc/30/54/04/169305404.db2.gz	LKIBJXXSOIDXQZ-UHFFFAOYSA-N	0	0	196.130	-1.408	50	5		AABARN
Nc1nn(CCO)c(N)c1[N+](=O)[O-]	7036852	169310829	/nfs/dbraw/zinc/31/08/29/169310829.db2.gz	PFXFUMCGUMQEBJ-UHFFFAOYSA-N	0	0	187.159	-1.052	50	5		AABARN
NC(=O)c1cc([N+](=O)[O-])nn1N	4179807	171011452	/nfs/dbraw/zinc/01/14/52/171011452.db2.gz	NHYHWXPWNVHWIA-UHFFFAOYSA-N	0	0	171.116	-1.396	50	5		AABARN
O=[N+]([O-])c1no[n+]([O-])c1CO	4481279	171013173	/nfs/dbraw/zinc/01/31/73/171013173.db2.gz	KLIXEHZYWKGKMF-UHFFFAOYSA-N	0	0	161.073	-1.292	50	5		AABARN
O=C1[N-]N[N+](=C2N=NC=C2[N+](=O)[O-])O1	4626278	171013678	/nfs/dbraw/zinc/01/36/78/171013678.db2.gz	UNNMOYCYFRTTKX-UHFFFAOYSA-O	0	0	199.106	-1.317	50	5		AABARN
NC(=O)n1nc([N+](=O)[O-])nc1N	5071980	171014346	/nfs/dbraw/zinc/01/43/46/171014346.db2.gz	KFIDQZFYZRCAKM-UHFFFAOYSA-N	0	0	172.104	-1.305	50	5		AABARN
O=c1[n-][n+](-c2n[nH]cc2[N+](=O)[O-])no1	6188120	171019982	/nfs/dbraw/zinc/01/99/82/171019982.db2.gz	UTTPOWVSVFFJQV-UHFFFAOYSA-O	0	0	199.106	-1.729	50	5		AABARN
O=[N+]([O-])C12CN3CN(CN(C3)C1)C2	19315334	171033511	/nfs/dbraw/zinc/03/35/11/171033511.db2.gz	LPPLVTOEOMJNPS-UHFFFAOYSA-N	0	0	184.199	-1.179	50	5		AABARN
O=[N+]([O-])C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	19330094	171033759	/nfs/dbraw/zinc/03/37/59/171033759.db2.gz	NYTOUQBROMCLBJ-UHFFFAOYSA-N	0	0	196.031	-1.296	50	5	in-vitro	AABARN
O=c1nnn(-c2[nH]ncc2[N+](=O)[O-])o1	19932798	343064482	/nfs/dbraw/zinc/06/44/82/343064482.db2.gz	UNNMOYCYFRTTKX-UHFFFAOYSA-N	0	0	198.098	-1.148	50	5		AABARN
O=[N+]([O-])C(CO)(CO)CO	1640851	351291275	/nfs/dbraw/zinc/29/12/75/351291275.db2.gz	OLQJQHSAWMFDJE-UHFFFAOYSA-N	0	0	151.118	-2.021	50	5	in-vitro	AABARN
O=[N+]([O-])C(CO)CO	15771889	351379116	/nfs/dbraw/zinc/37/91/16/351379116.db2.gz	YTIXGBHAPNMOKU-UHFFFAOYSA-N	0	0	121.092	-1.384	50	5		AABARN
CN1CN2CNC[C@@]([N+](=O)[O-])(C1)C2	19324768	371625175	/nfs/dbraw/zinc/62/51/75/371625175.db2.gz	ZTVXLZCRTCJIJJ-SSDOTTSWSA-N	0	0	186.215	-1.233	50	5		AABARN
O=[N+]([O-])C(CO)(CO)[N+](=O)[O-]	19321997	371625703	/nfs/dbraw/zinc/62/57/03/371625703.db2.gz	IUKKSAGYDLAHGF-UHFFFAOYSA-N	0	0	166.089	-1.779	50	5		AABARN