smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000409330706	556637344	/nfs/dbraw/zinc/63/73/44/556637344.db2.gz	LEJXIVXJRXBROV-QPJJXVBHSA-N	-2	0	441.356	3.461	40	5		IGBBRL
CCCc1nc(SC(=Cc2cc(Br)c([O-])c([N+](=O)[O-])c2)C(=O)[O-])n[nH]1	ZINC000408633079	557423001	/nfs/dbraw/zinc/42/30/01/557423001.db2.gz	VSNUTMOEQFJYSZ-POHAHGRESA-N	-2	0	429.252	3.351	40	5		IGBBRL
COc1cc(OC)cc(-c2nc(SC(=Cc3cc([N+](=O)[O-])ccc3[O-])C(=O)[O-])n[nH]2)c1	ZINC000408633585	557423013	/nfs/dbraw/zinc/42/30/13/557423013.db2.gz	OAMDUXIJHGOVMP-PXNMLYILSA-N	-2	0	444.425	3.321	40	5		IGBBRL
O=C([O-])c1cccc(NC(=O)c2cc(C(=O)Nc3cccc(C(=O)[O-])c3)cc([N+](=O)[O-])c2)c1	ZINC000408668230	557426654	/nfs/dbraw/zinc/42/66/54/557426654.db2.gz	CXWQHLYTEFJEQT-UHFFFAOYSA-N	-2	0	449.375	3.496	40	5		IGBBRL
CCCc1nc(SC(=Cc2cc(Br)cc([N+](=O)[O-])c2[O-])C(=O)[O-])n[nH]1	ZINC000408631330	557422800	/nfs/dbraw/zinc/42/28/00/557422800.db2.gz	HQKWGLMKTSZMLW-YHYXMXQVSA-N	-2	0	429.252	3.351	40	5		IGBBRL
O=C([O-])CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)[O-])cc2s1	ZINC000408750335	556619683	/nfs/dbraw/zinc/61/96/83/556619683.db2.gz	LPVCSACTMJGTRW-UHFFFAOYSA-N	-2	0	433.423	3.332	40	5		IGBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000409333337	556637357	/nfs/dbraw/zinc/63/73/57/556637357.db2.gz	RYXAIRHTZSOHRO-VURMDHGXSA-N	-2	0	440.368	3.462	40	5		IGBBRL
CCCc1nc(SC(=Cc2cc([N+](=O)[O-])cc(Br)c2[O-])C(=O)[O-])n[nH]1	ZINC000408632270	557422747	/nfs/dbraw/zinc/42/27/47/557422747.db2.gz	PLHRUJCPASAAJC-YHYXMXQVSA-N	-2	0	429.252	3.351	40	5		IGBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000409327326	556637375	/nfs/dbraw/zinc/63/73/75/556637375.db2.gz	JDLOPPOYCMKTEK-FPLPWBNLSA-N	-2	0	440.368	3.462	40	5		IGBBRL
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000016491524	568914850	/nfs/dbraw/zinc/91/48/50/568914850.db2.gz	APHJVDDQMLKUEB-UHFFFAOYSA-N	-2	0	433.467	3.196	40	5		IGBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000409342618	557070299	/nfs/dbraw/zinc/07/02/99/557070299.db2.gz	BWGGAROEZHMNJK-UTCJRWHESA-N	-2	0	427.329	3.071	40	5		IGBBRL
O=C([O-])c1ccc(NC(=O)c2cc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc([N+](=O)[O-])c2)cc1	ZINC000408673223	556615691	/nfs/dbraw/zinc/61/56/91/556615691.db2.gz	QJHJTQDJUOQNEK-UHFFFAOYSA-N	-2	0	449.375	3.496	40	5		IGBBRL
O=C(Nc1ccc([N+](=O)[O-])cc1[O-])c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])cc1	ZINC000012403148	562981846	/nfs/dbraw/zinc/98/18/46/562981846.db2.gz	LBKLWDAGXTUTST-UHFFFAOYSA-N	-2	0	438.352	3.419	40	5		IGBBRL
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409329297	556637299	/nfs/dbraw/zinc/63/72/99/556637299.db2.gz	DMADMUOGFAIROF-UITAMQMPSA-N	-2	0	440.368	3.462	40	5		IGBBRL