smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1nc(C=Cc2cccnc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000013544882	348027127	/nfs/dbraw/zinc/02/71/27/348027127.db2.gz	WBICTMFPYISFRO-ARJAWSKDSA-N	-2	3	260.209	0.537	50	5		CCBAHL
O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1[S@](=O)[O-]	ZINC000675062674	545320936	/nfs/dbraw/zinc/32/09/36/545320936.db2.gz	KLAAFQAUFVFNGY-UHFFFAOYSA-N	-2	3	255.215	0.356	50	5		CCBAHL
O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1[S@](=O)[O-]	ZINC000675062674	545320937	/nfs/dbraw/zinc/32/09/37/545320937.db2.gz	KLAAFQAUFVFNGY-UHFFFAOYSA-N	-2	3	255.215	0.356	50	5		CCBAHL
CCOc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1[O-]	ZINC000012411400	286552647	/nfs/dbraw/zinc/55/26/47/286552647.db2.gz	JDHALRHCDDDTDN-UHFFFAOYSA-N	-2	3	251.202	0.879	50	5		CCBAHL
O=c1cc([O-])nc(NOCc2ccc([N+](=O)[O-])cc2)[n-]1	ZINC000004005797	347988359	/nfs/dbraw/zinc/98/83/59/347988359.db2.gz	GNUYRGXLVAYQKI-UHFFFAOYSA-N	-2	3	278.224	0.019	50	5		CCBAHL
O=c1[n-]c(=O)n(Cc2ccc([O-])c([N+](=O)[O-])c2)cc1F	ZINC000019316007	348060185	/nfs/dbraw/zinc/06/01/85/348060185.db2.gz	PUPUYXSTDJWALU-UHFFFAOYSA-N	-2	3	281.199	0.338	50	5		CCBAHL
O=C([O-])CCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000002314520	347965850	/nfs/dbraw/zinc/96/58/50/347965850.db2.gz	VYPHCIPQBOUDBZ-UHFFFAOYSA-N	-2	3	288.281	0.738	50	5		CCBAHL
CCc1n[n-]c([N-]C(=O)c2n[nH]cc2[N+](=O)[O-])n1	ZINC000097047388	349623919	/nfs/dbraw/zinc/62/39/19/349623919.db2.gz	ZAQAPYVSIXLCQZ-UHFFFAOYSA-N	-2	3	251.206	0.251	50	5		CCBAHL
O=C([O-])[C@@H]1CC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000040451234	174265772	/nfs/dbraw/zinc/26/57/72/174265772.db2.gz	BKYOLTDJWPOLJL-MRVPVSSYSA-N	-2	3	293.235	0.173	50	5		CCBAHL
O=C([O-])CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000000126180	347940165	/nfs/dbraw/zinc/94/01/65/347940165.db2.gz	GITSWRINOGOGRB-UHFFFAOYSA-N	-2	3	274.254	0.348	50	5		CCBAHL
COc1cc(/C=C2/NC(=S)[N-]C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000000134676	347939644	/nfs/dbraw/zinc/93/96/44/347939644.db2.gz	JPPROWCWNXWWOS-QHHAFSJGSA-N	-2	3	295.276	0.654	50	5		CCBAHL
O=C([O-])C[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000011804475	388775309	/nfs/dbraw/zinc/77/53/09/388775309.db2.gz	HTYOKXUFQJAUAA-UHFFFAOYSA-N	-2	3	294.672	0.611	50	5		CCBAHL
COc1cc(/C=C2\NC(=S)[N-]C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000012418405	388783617	/nfs/dbraw/zinc/78/36/17/388783617.db2.gz	JPPROWCWNXWWOS-KXFIGUGUSA-N	-2	3	295.276	0.654	50	5		CCBAHL
O=C([O-])C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000003316835	347980986	/nfs/dbraw/zinc/98/09/86/347980986.db2.gz	JXBAFFDNRGIBKV-UHFFFAOYSA-N	-2	3	294.672	0.611	50	5		CCBAHL
CCOc1c([O-])ccc(-c2nn[n-]n2)c1[N+](=O)[O-]	ZINC000006387662	279942319	/nfs/dbraw/zinc/94/23/19/279942319.db2.gz	WAPVMENFCCJUID-UHFFFAOYSA-N	-2	3	251.202	0.879	50	5		CCBAHL
O=c1cc([O-])nc(NOCc2ccc([N+](=O)[O-])cc2)[n-]1	ZINC000008553135	170339756	/nfs/dbraw/zinc/33/97/56/170339756.db2.gz	XDQDMGCBGXDNHX-UHFFFAOYSA-N	-2	3	278.224	0.927	50	5		CCBAHL
CCn1cc(C(=O)[O-])c(=O)c2cc([N+](=O)[O-])c(=O)[n-]c21	ZINC000071772182	288696536	/nfs/dbraw/zinc/69/65/36/288696536.db2.gz	LSWLURRYBJIFBQ-UHFFFAOYSA-N	-2	3	279.208	0.728	50	5		CCBAHL
O=C([O-])[C@H]1CC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000040451235	174265897	/nfs/dbraw/zinc/26/58/97/174265897.db2.gz	BKYOLTDJWPOLJL-QMMMGPOBSA-N	-2	3	293.235	0.173	50	5		CCBAHL
O=c1nc(NCc2ccccc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000006223204	170183707	/nfs/dbraw/zinc/18/37/07/170183707.db2.gz	FJNSYYDHRAFITR-UHFFFAOYSA-N	-2	3	262.225	0.584	50	5		CCBAHL