smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1ncc2nc(-c3cc([N+](=O)[O-])ccc3[O-])[n-]c(=O)c21	ZINC000002806371	303062748	/nfs/dbraw/zinc/06/27/48/303062748.db2.gz	WMBVTXWMDOTTSX-UHFFFAOYSA-N	-2	1	287.235	0.937	50	5		CCBAML
O=C1[N-]C(=S)NC1=Cc1cccc([N+](=O)[O-])c1[O-]	ZINC000003899222	347987305	/nfs/dbraw/zinc/98/73/05/347987305.db2.gz	VGLDMXKYORGLEN-GQCTYLIASA-N	-2	1	265.250	0.646	50	5		CCBAML
O=c1nc2[n-]c3ccc([N+](=O)[O-])cc3nc-2c(=O)[n-]1	ZINC000000297367	388753114	/nfs/dbraw/zinc/75/31/14/388753114.db2.gz	YPGLLOHXTGDELR-UHFFFAOYSA-N	-2	1	259.181	0.480	50	5		CCBAML
CC(=O)Nc1cc2[n-]c3nc(=O)[n-]c(=O)c-3nc2cc1C	ZINC000000208308	278187134	/nfs/dbraw/zinc/18/71/34/278187134.db2.gz	BUCRLTDEQVZVRX-UHFFFAOYSA-N	-2	1	285.263	0.839	50	5		CCBAML
O=C1[N-]C(=S)NC1=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000100053991	349655181	/nfs/dbraw/zinc/65/51/81/349655181.db2.gz	QYOAAZHZUKLPFB-QPJJXVBHSA-N	-2	1	265.250	0.646	50	5		CCBAML
COc1cc2nc3c(=O)[n-]c(=O)nc-3[n-]c2cc1OC	ZINC000071772170	295044651	/nfs/dbraw/zinc/04/46/51/295044651.db2.gz	CSKATYGSXBJRKY-UHFFFAOYSA-N	-2	1	274.236	0.589	50	5		CCBAML
O=C1[N-]C(=S)NC1=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000101953192	397404373	/nfs/dbraw/zinc/40/43/73/397404373.db2.gz	VEMMROLCMCLFFI-UTCJRWHESA-N	-2	1	265.250	0.646	50	5		CCBAML
CC(=O)Nc1ccc2nc3c(=O)[n-]c(=O)nc-3[n-]c2c1	ZINC000006781165	278205422	/nfs/dbraw/zinc/20/54/22/278205422.db2.gz	DYMFPFUFFQWVNJ-UHFFFAOYSA-N	-2	1	271.236	0.530	50	5	biogenic	CCBAML
O=C1[N-]C(=S)NC1=Cc1ccc([O-])c([N+](=O)[O-])c1	ZINC000004188231	347990088	/nfs/dbraw/zinc/99/00/88/347990088.db2.gz	VEMMROLCMCLFFI-ZZXKWVIFSA-N	-2	1	265.250	0.646	50	5		CCBAML
O=C1[N-]C(=S)NC1=Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000013130761	348025766	/nfs/dbraw/zinc/02/57/66/348025766.db2.gz	QYOAAZHZUKLPFB-DAXSKMNVSA-N	-2	1	265.250	0.646	50	5		CCBAML