smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1ccc(NC2=[NH+]CCN2)cc1)c1ccc(C(=O)Nc2ccc(NC3=NCCN3)cc2)c([N+](=O)[O-])c1	ZINC000001694064	551689694	/nfs/dbraw/zinc/68/96/94/551689694.db2.gz	MHFMNXJOPPOQBO-UHFFFAOYSA-N	1	2	527.545	2.842	40	5		KFBBLO
O=[N+]([O-])c1ccccc1CN1CCOCCOCC[NH+](Cc2ccccc2[N+](=O)[O-])CCOCCOCC1	ZINC000016449575	553565137	/nfs/dbraw/zinc/56/51/37/553565137.db2.gz	QROHHPRMYNVAPH-UHFFFAOYSA-N	1	2	532.594	2.887	40	5		KFBBLO
COc1ccc2c3nccc4c5cc(O[C@@H](C)C(=O)NCC[NH+]6CCOCC6)ccc5n(c43)c(=O)c2c1OC	ZINC000038140761	554264227	/nfs/dbraw/zinc/26/42/27/554264227.db2.gz	NQXCIGLNRGUCQV-KRWDZBQOSA-N	1	2	530.581	2.825	40	5	biogenic	KFBBLO
COc1ccc2c3nccc4c5cc(O[C@H](C)C(=O)NCC[NH+]6CCOCC6)ccc5n(c43)c(=O)c2c1OC	ZINC000038140762	554264220	/nfs/dbraw/zinc/26/42/20/554264220.db2.gz	NQXCIGLNRGUCQV-QGZVFWFLSA-N	1	2	530.581	2.825	40	5	biogenic	KFBBLO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccc(Br)cc31)[N@@H+]1CCC[C@@H]21	ZINC000104044137	571371747	/nfs/dbraw/zinc/37/17/47/571371747.db2.gz	UACZHXRJBAQXAZ-HTIQSUCMSA-N	1	2	527.331	2.797	40	5		KFBBLO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@]1(C(=O)Nc3ccc(Br)cc31)[N@H+]1CCC[C@@H]21	ZINC000104044137	571371746	/nfs/dbraw/zinc/37/17/46/571371746.db2.gz	UACZHXRJBAQXAZ-HTIQSUCMSA-N	1	2	527.331	2.797	40	5		KFBBLO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@H+]1[C@@]21C(=O)Nc2ccc(Br)cc21	ZINC000104044145	571371731	/nfs/dbraw/zinc/37/17/31/571371731.db2.gz	UACZHXRJBAQXAZ-JYISGYRJSA-N	1	2	527.331	2.797	40	5		KFBBLO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCC[N@@H+]1[C@@]21C(=O)Nc2ccc(Br)cc21	ZINC000104044145	571371729	/nfs/dbraw/zinc/37/17/29/571371729.db2.gz	UACZHXRJBAQXAZ-JYISGYRJSA-N	1	2	527.331	2.797	40	5		KFBBLO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O	ZINC000104044151	571371679	/nfs/dbraw/zinc/37/16/79/571371679.db2.gz	UACZHXRJBAQXAZ-LPSTTYAQSA-N	1	2	527.331	2.797	40	5		KFBBLO
COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4ccc(Br)cc43)[C@@H]2C1=O	ZINC000104044151	571371677	/nfs/dbraw/zinc/37/16/77/571371677.db2.gz	UACZHXRJBAQXAZ-LPSTTYAQSA-N	1	2	527.331	2.797	40	5		KFBBLO
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1	ZINC000150339468	571457469	/nfs/dbraw/zinc/45/74/69/571457469.db2.gz	TYHYOKXXWSTGKG-AWCRTANDSA-N	1	2	642.669	2.783	40	5		KFBBLO
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1	ZINC000150339468	571457467	/nfs/dbraw/zinc/45/74/67/571457467.db2.gz	TYHYOKXXWSTGKG-AWCRTANDSA-N	1	2	642.669	2.783	40	5		KFBBLO