smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)CC1	ZINC000018891986	569316233	/nfs/dbraw/zinc/31/62/33/569316233.db2.gz	DRFXVYHXBHDUKI-UHFFFAOYSA-N	0	3	439.516	2.826	40	5		IFBBHN
O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000020154304	569336102	/nfs/dbraw/zinc/33/61/02/569336102.db2.gz	IONZZIKLODVJOX-UHFFFAOYSA-N	0	3	440.460	2.765	40	5		IFBBHN
COc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)N1CCC(C)CC1	ZINC000408605230	557421423	/nfs/dbraw/zinc/42/14/23/557421423.db2.gz	LBMUPLNFFKKNNX-GQCTYLIASA-N	0	3	444.444	2.612	40	5		IFBBHN
CCN1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)CC1	ZINC000019629764	569324180	/nfs/dbraw/zinc/32/41/80/569324180.db2.gz	VNUFPTBWHARHJJ-UHFFFAOYSA-N	0	3	439.516	2.826	40	5		IFBBHN
O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000020154302	569336202	/nfs/dbraw/zinc/33/62/02/569336202.db2.gz	ZZJMCDBRCVZFTE-UHFFFAOYSA-N	0	3	440.460	2.765	40	5		IFBBHN
O=C(COc1ccc(Br)cc1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000020154333	569336131	/nfs/dbraw/zinc/33/61/31/569336131.db2.gz	DNNQUUQGBUZBOS-UHFFFAOYSA-N	0	3	435.278	2.784	40	5		IFBBHN
CCOc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)N1CCCCC1	ZINC000408608904	557421701	/nfs/dbraw/zinc/42/17/01/557421701.db2.gz	XLOVMUQRELTKSA-VQHVLOKHSA-N	0	3	444.444	2.756	40	5		IFBBHN
COc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc(Cl)c1OCC(N)=O	ZINC000016195367	568872501	/nfs/dbraw/zinc/87/25/01/568872501.db2.gz	WZUZGOMXQKDUMD-UHFFFAOYSA-N	0	3	443.287	2.976	40	5		IFBBHN
CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)CC1	ZINC000032125336	569460352	/nfs/dbraw/zinc/46/03/52/569460352.db2.gz	LUNBPVPWTUVQBU-UHFFFAOYSA-N	0	3	443.529	2.872	40	5		IFBBHN
COc1cc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OS(=O)(=O)c1ccccc1	ZINC000409345153	556637559	/nfs/dbraw/zinc/63/75/59/556637559.db2.gz	KAYWAZDWMOZMPS-CSKARUKUSA-N	0	3	445.409	2.743	40	5		IFBBHN