smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000105888996	570933656	/nfs/dbraw/zinc/93/36/56/570933656.db2.gz	XNYRFGDCTPLLBA-APWZRJJASA-N	2	2	392.500	2.061	50	5		GEBALP
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000105888996	570933661	/nfs/dbraw/zinc/93/36/61/570933661.db2.gz	XNYRFGDCTPLLBA-APWZRJJASA-N	2	2	392.500	2.061	50	5		GEBALP
CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000105888996	570933663	/nfs/dbraw/zinc/93/36/63/570933663.db2.gz	XNYRFGDCTPLLBA-APWZRJJASA-N	2	2	392.500	2.061	50	5		GEBALP
CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000105888996	570933667	/nfs/dbraw/zinc/93/36/67/570933667.db2.gz	XNYRFGDCTPLLBA-APWZRJJASA-N	2	2	392.500	2.061	50	5		GEBALP
CC[C@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000036340238	570625292	/nfs/dbraw/zinc/62/52/92/570625292.db2.gz	SJVCYXLACNCENI-IBGZPJMESA-N	2	2	399.495	2.485	50	5		GEBALP
CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000016695713	207077797	/nfs/dbraw/zinc/07/77/97/207077797.db2.gz	XNYRFGDCTPLLBA-LPHOPBHVSA-N	2	2	392.500	2.061	50	5		GEBALP
CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000016695713	207077802	/nfs/dbraw/zinc/07/78/02/207077802.db2.gz	XNYRFGDCTPLLBA-LPHOPBHVSA-N	2	2	392.500	2.061	50	5		GEBALP
CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000016695713	207077806	/nfs/dbraw/zinc/07/78/06/207077806.db2.gz	XNYRFGDCTPLLBA-LPHOPBHVSA-N	2	2	392.500	2.061	50	5		GEBALP
CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000016695713	207077811	/nfs/dbraw/zinc/07/78/11/207077811.db2.gz	XNYRFGDCTPLLBA-LPHOPBHVSA-N	2	2	392.500	2.061	50	5		GEBALP
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000016695714	221369825	/nfs/dbraw/zinc/36/98/25/221369825.db2.gz	XNYRFGDCTPLLBA-QFBILLFUSA-N	2	2	392.500	2.061	50	5		GEBALP
CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000016695714	221369827	/nfs/dbraw/zinc/36/98/27/221369827.db2.gz	XNYRFGDCTPLLBA-QFBILLFUSA-N	2	2	392.500	2.061	50	5		GEBALP
CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000016695714	221369830	/nfs/dbraw/zinc/36/98/30/221369830.db2.gz	XNYRFGDCTPLLBA-QFBILLFUSA-N	2	2	392.500	2.061	50	5		GEBALP
CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000016695714	221369832	/nfs/dbraw/zinc/36/98/32/221369832.db2.gz	XNYRFGDCTPLLBA-QFBILLFUSA-N	2	2	392.500	2.061	50	5		GEBALP
CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000105888994	570932917	/nfs/dbraw/zinc/93/29/17/570932917.db2.gz	XNYRFGDCTPLLBA-VQIMIIECSA-N	2	2	392.500	2.061	50	5		GEBALP
CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000105888994	570932923	/nfs/dbraw/zinc/93/29/23/570932923.db2.gz	XNYRFGDCTPLLBA-VQIMIIECSA-N	2	2	392.500	2.061	50	5		GEBALP
CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000105888994	570932929	/nfs/dbraw/zinc/93/29/29/570932929.db2.gz	XNYRFGDCTPLLBA-VQIMIIECSA-N	2	2	392.500	2.061	50	5		GEBALP
CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000105888994	570932933	/nfs/dbraw/zinc/93/29/33/570932933.db2.gz	XNYRFGDCTPLLBA-VQIMIIECSA-N	2	2	392.500	2.061	50	5		GEBALP
Cc1nc(N2CC[NH+](CC(C)(C)O)CC2)c(Cc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1	ZINC000036316563	570614876	/nfs/dbraw/zinc/61/48/76/570614876.db2.gz	FLMSXFVDKCJEOJ-UHFFFAOYSA-N	2	2	399.495	2.485	50	5		GEBALP
CC[C@@H](O)C[NH+]1CCN(c2nc(C)[nH+]c(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000036340239	570625511	/nfs/dbraw/zinc/62/55/11/570625511.db2.gz	SJVCYXLACNCENI-LJQANCHMSA-N	2	2	399.495	2.485	50	5		GEBALP