smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1	ZINC000000240347	361150886	/nfs/dbraw/zinc/15/08/86/361150886.db2.gz	IOGOFXGQQRHSIE-UHFFFAOYSA-N	2	2	263.341	2.121	50	5		CEBALP
C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1	ZINC000000240347	361150887	/nfs/dbraw/zinc/15/08/87/361150887.db2.gz	IOGOFXGQQRHSIE-UHFFFAOYSA-N	2	2	263.341	2.121	50	5		CEBALP
C[N@@H+]1CCC[C@H]1CC[NH+]1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000095981709	185053793	/nfs/dbraw/zinc/05/37/93/185053793.db2.gz	ZFZBXNQNNIWXHJ-HNNXBMFYSA-N	2	2	289.379	2.437	50	5		CEBALP
C[N@H+]1CCC[C@H]1CC[NH+]1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000095981709	185053794	/nfs/dbraw/zinc/05/37/94/185053794.db2.gz	ZFZBXNQNNIWXHJ-HNNXBMFYSA-N	2	2	289.379	2.437	50	5		CEBALP
C[NH+]1CCC[C@H]1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000095981709	185053795	/nfs/dbraw/zinc/05/37/95/185053795.db2.gz	ZFZBXNQNNIWXHJ-HNNXBMFYSA-N	2	2	289.379	2.437	50	5		CEBALP
C[NH+]1CCC[C@H]1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000095981709	185053796	/nfs/dbraw/zinc/05/37/96/185053796.db2.gz	ZFZBXNQNNIWXHJ-HNNXBMFYSA-N	2	2	289.379	2.437	50	5		CEBALP
CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC[N@H+](C)C1	ZINC000078552723	177353293	/nfs/dbraw/zinc/35/32/93/177353293.db2.gz	WQHGMLJTGHPMSU-GFCCVEGCSA-N	2	2	293.367	2.035	50	5		CEBALP
CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC[N@@H+](C)C1	ZINC000078552723	177353294	/nfs/dbraw/zinc/35/32/94/177353294.db2.gz	WQHGMLJTGHPMSU-GFCCVEGCSA-N	2	2	293.367	2.035	50	5		CEBALP
C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1	ZINC000000201850	361144948	/nfs/dbraw/zinc/14/49/48/361144948.db2.gz	VMOLHAFMZBMOMF-UHFFFAOYSA-N	2	2	263.341	2.121	50	5		CEBALP
C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1	ZINC000000201850	361144954	/nfs/dbraw/zinc/14/49/54/361144954.db2.gz	VMOLHAFMZBMOMF-UHFFFAOYSA-N	2	2	263.341	2.121	50	5		CEBALP
[NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]12	ZINC000221870487	370245932	/nfs/dbraw/zinc/24/59/32/370245932.db2.gz	FQXVZVWNLNTZOY-DMDPSCGWSA-N	2	2	295.770	2.417	50	5		CEBALP
[NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]12	ZINC000221870487	370245935	/nfs/dbraw/zinc/24/59/35/370245935.db2.gz	FQXVZVWNLNTZOY-DMDPSCGWSA-N	2	2	295.770	2.417	50	5		CEBALP
C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1	ZINC000000239833	394449348	/nfs/dbraw/zinc/44/93/48/394449348.db2.gz	PNBURNGHHRAYHU-UHFFFAOYSA-N	2	2	263.341	2.121	50	5		CEBALP
C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1	ZINC000000239833	394449351	/nfs/dbraw/zinc/44/93/51/394449351.db2.gz	PNBURNGHHRAYHU-UHFFFAOYSA-N	2	2	263.341	2.121	50	5		CEBALP
CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC[N@H+](C)C1	ZINC000078552717	177353227	/nfs/dbraw/zinc/35/32/27/177353227.db2.gz	WQHGMLJTGHPMSU-LBPRGKRZSA-N	2	2	293.367	2.035	50	5		CEBALP
CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC[N@@H+](C)C1	ZINC000078552717	177353228	/nfs/dbraw/zinc/35/32/28/177353228.db2.gz	WQHGMLJTGHPMSU-LBPRGKRZSA-N	2	2	293.367	2.035	50	5		CEBALP
[NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]12	ZINC000225363493	370291706	/nfs/dbraw/zinc/29/17/06/370291706.db2.gz	FQXVZVWNLNTZOY-GMXVVIOVSA-N	2	2	295.770	2.417	50	5		CEBALP
[NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]12	ZINC000225363493	370291710	/nfs/dbraw/zinc/29/17/10/370291710.db2.gz	FQXVZVWNLNTZOY-GMXVVIOVSA-N	2	2	295.770	2.417	50	5		CEBALP
[NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]12	ZINC000225363561	370291876	/nfs/dbraw/zinc/29/18/76/370291876.db2.gz	FQXVZVWNLNTZOY-NTZNESFSSA-N	2	2	295.770	2.417	50	5		CEBALP
[NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]12	ZINC000225363561	370291878	/nfs/dbraw/zinc/29/18/78/370291878.db2.gz	FQXVZVWNLNTZOY-NTZNESFSSA-N	2	2	295.770	2.417	50	5		CEBALP
C[N@@H+]1CCC[C@@H]1CC[NH+]1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000095981708	185054558	/nfs/dbraw/zinc/05/45/58/185054558.db2.gz	ZFZBXNQNNIWXHJ-OAHLLOKOSA-N	2	2	289.379	2.437	50	5		CEBALP
C[N@H+]1CCC[C@@H]1CC[NH+]1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000095981708	185054559	/nfs/dbraw/zinc/05/45/59/185054559.db2.gz	ZFZBXNQNNIWXHJ-OAHLLOKOSA-N	2	2	289.379	2.437	50	5		CEBALP
C[NH+]1CCC[C@@H]1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000095981708	185054560	/nfs/dbraw/zinc/05/45/60/185054560.db2.gz	ZFZBXNQNNIWXHJ-OAHLLOKOSA-N	2	2	289.379	2.437	50	5		CEBALP
C[NH+]1CCC[C@@H]1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000095981708	185054561	/nfs/dbraw/zinc/05/45/61/185054561.db2.gz	ZFZBXNQNNIWXHJ-OAHLLOKOSA-N	2	2	289.379	2.437	50	5		CEBALP
[NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]12	ZINC000221870438	370246188	/nfs/dbraw/zinc/24/61/88/370246188.db2.gz	FQXVZVWNLNTZOY-NQBHXWOUSA-N	2	2	295.770	2.417	50	5		CEBALP
[NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]12	ZINC000221870438	370246192	/nfs/dbraw/zinc/24/61/92/370246192.db2.gz	FQXVZVWNLNTZOY-NQBHXWOUSA-N	2	2	295.770	2.417	50	5		CEBALP