smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[NH+]1CCN(Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)CC1	ZINC000095498065	568936295	/nfs/dbraw/zinc/93/62/95/568936295.db2.gz	GASJKIMCPQOQPU-HSZRJFAPSA-N	2	1	401.595	2.994	50	30		HFEAMP
C=CC[NH+]1CCN(Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)CC1	ZINC000095498065	568936296	/nfs/dbraw/zinc/93/62/96/568936296.db2.gz	GASJKIMCPQOQPU-HSZRJFAPSA-N	2	1	401.595	2.994	50	30		HFEAMP
C=CCN1CC[NH+](Cc2cccc(OC[C@H](O)C[N@@H+](C)C3CCCCC3)c2)CC1	ZINC000095498065	568936297	/nfs/dbraw/zinc/93/62/97/568936297.db2.gz	GASJKIMCPQOQPU-HSZRJFAPSA-N	2	1	401.595	2.994	50	30		HFEAMP
C=CCN1CC[NH+](Cc2cccc(OC[C@H](O)C[N@H+](C)C3CCCCC3)c2)CC1	ZINC000095498065	568936298	/nfs/dbraw/zinc/93/62/98/568936298.db2.gz	GASJKIMCPQOQPU-HSZRJFAPSA-N	2	1	401.595	2.994	50	30		HFEAMP
C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2	ZINC000014742523	569003605	/nfs/dbraw/zinc/00/36/05/569003605.db2.gz	UFLVDVFBVPGYJG-NRFANRHFSA-N	2	1	421.589	2.882	50	30		HFEAMP
C=CCOc1ccccc1C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1	ZINC000104461518	569008633	/nfs/dbraw/zinc/00/86/33/569008633.db2.gz	XDVSTKKWHIZHSZ-HSZRJFAPSA-N	2	1	401.595	2.993	50	30		HFEAMP
C=CCOc1ccccc1C[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1	ZINC000104461518	569008634	/nfs/dbraw/zinc/00/86/34/569008634.db2.gz	XDVSTKKWHIZHSZ-HSZRJFAPSA-N	2	1	401.595	2.993	50	30		HFEAMP
C=CCOc1ccccc1C[N@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1	ZINC000019792780	569018423	/nfs/dbraw/zinc/01/84/23/569018423.db2.gz	XDVSTKKWHIZHSZ-QHCPKHFHSA-N	2	1	401.595	2.993	50	30		HFEAMP
C=CCOc1ccccc1C[N@@H+]1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1	ZINC000019792780	569018424	/nfs/dbraw/zinc/01/84/24/569018424.db2.gz	XDVSTKKWHIZHSZ-QHCPKHFHSA-N	2	1	401.595	2.993	50	30		HFEAMP
C=C(C)C[N@H+](CC)Cc1ccc(OC[C@H](O)C[NH+]2CCC(C(=O)OC)CC2)cc1	ZINC000012581961	568995349	/nfs/dbraw/zinc/99/53/49/568995349.db2.gz	LYGAILULQXAAIH-OAQYLSRUSA-N	2	1	404.551	2.709	50	30		HFEAMP
C=CC[NH+]1CCN(Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)CC1	ZINC000095498064	568936315	/nfs/dbraw/zinc/93/63/15/568936315.db2.gz	GASJKIMCPQOQPU-QHCPKHFHSA-N	2	1	401.595	2.994	50	30		HFEAMP
C=CC[NH+]1CCN(Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)CC1	ZINC000095498064	568936316	/nfs/dbraw/zinc/93/63/16/568936316.db2.gz	GASJKIMCPQOQPU-QHCPKHFHSA-N	2	1	401.595	2.994	50	30		HFEAMP
C=CCN1CC[NH+](Cc2cccc(OC[C@@H](O)C[N@@H+](C)C3CCCCC3)c2)CC1	ZINC000095498064	568936317	/nfs/dbraw/zinc/93/63/17/568936317.db2.gz	GASJKIMCPQOQPU-QHCPKHFHSA-N	2	1	401.595	2.994	50	30		HFEAMP
C=CCN1CC[NH+](Cc2cccc(OC[C@@H](O)C[N@H+](C)C3CCCCC3)c2)CC1	ZINC000095498064	568936318	/nfs/dbraw/zinc/93/63/18/568936318.db2.gz	GASJKIMCPQOQPU-QHCPKHFHSA-N	2	1	401.595	2.994	50	30		HFEAMP
CN(CC[NH+]1CCCC1)CC(C)(C)C[N@@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O	ZINC000108150350	560898186	/nfs/dbraw/zinc/89/81/86/560898186.db2.gz	GBILJLCFBSCZGB-IBGZPJMESA-N	2	1	417.623	2.711	50	30		HFEAMP
C=C(C)C[N@H+](CC)Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C(=O)OC)CC2)cc1	ZINC000012581952	568995166	/nfs/dbraw/zinc/99/51/66/568995166.db2.gz	LYGAILULQXAAIH-NRFANRHFSA-N	2	1	404.551	2.709	50	30		HFEAMP
CC[NH+]1CCN(C(=S)Nc2ccc3nc(N4CC[NH+](C)CC4)cc(C)c3c2)CC1	ZINC000008682873	571101313	/nfs/dbraw/zinc/10/13/13/571101313.db2.gz	RVGYUVJAABJREK-UHFFFAOYSA-N	2	1	412.607	2.850	50	30		HFEAMP
C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2	ZINC000014742522	569003653	/nfs/dbraw/zinc/00/36/53/569003653.db2.gz	UFLVDVFBVPGYJG-OAQYLSRUSA-N	2	1	421.589	2.882	50	30		HFEAMP
CN(CC[NH+]1CCCC1)CC(C)(C)C[N@@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O	ZINC000095452041	568615105	/nfs/dbraw/zinc/61/51/05/568615105.db2.gz	GBILJLCFBSCZGB-LJQANCHMSA-N	2	1	417.623	2.711	50	30		HFEAMP