smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc([N+](=O)[O-])c(C4C[NH2+]C4)n2)CC3)cs1	ZINC001164702573	719817017	/nfs/dbraw/zinc/81/70/17/719817017.db2.gz	RXTMNNSLRXJTSK-UHFFFAOYSA-N	2	0	429.550	2.472	20	5		IEBDRP
O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1C1C[NH2+]C1	ZINC001164912129	721738515	/nfs/dbraw/zinc/73/85/15/721738515.db2.gz	MBCXKCORXWGGJI-HXUWFJFHSA-N	2	0	445.474	2.204	20	5		IEBDRP
Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ncc([N+](=O)[O-])c(C5C[NH2+]C5)n4)CC3)C2)cc1	ZINC001164940800	721933697	/nfs/dbraw/zinc/93/36/97/721933697.db2.gz	FDLYTIRGSWREDZ-UHFFFAOYSA-N	2	0	438.532	2.251	20	5		IEBDRP
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)CC2	ZINC001164837382	720729856	/nfs/dbraw/zinc/72/98/56/720729856.db2.gz	INWNPKLLDKGBQH-IBGZPJMESA-N	2	0	438.532	2.332	20	5		IEBDRP
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc([N+](=O)[O-])c(C3C[NH2+]C3)n1)CC2	ZINC001164837383	720728742	/nfs/dbraw/zinc/72/87/42/720728742.db2.gz	INWNPKLLDKGBQH-LJQANCHMSA-N	2	0	438.532	2.332	20	5		IEBDRP
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1	ZINC001165030958	721845373	/nfs/dbraw/zinc/84/53/73/721845373.db2.gz	MZYOUFSLQPPVDV-UHFFFAOYSA-N	2	0	442.520	2.190	20	5		IEBDRP
O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc1C1C[NH2+]C1	ZINC001164912128	721738090	/nfs/dbraw/zinc/73/80/90/721738090.db2.gz	MBCXKCORXWGGJI-FQEVSTJZSA-N	2	0	445.474	2.204	20	5		IEBDRP