smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH+]1	ZINC000246696211	537005689	/nfs/dbraw/zinc/00/56/89/537005689.db2.gz	IWFFZKIJOARZRY-GOEBONIOSA-N	2	1	360.418	1.290	10	5		FDBEMP
Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH+]1	ZINC000246696211	537005692	/nfs/dbraw/zinc/00/56/92/537005692.db2.gz	IWFFZKIJOARZRY-GOEBONIOSA-N	2	1	360.418	1.290	10	5		FDBEMP
Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH+]1	ZINC000246696189	537005877	/nfs/dbraw/zinc/00/58/77/537005877.db2.gz	IWFFZKIJOARZRY-GDBMZVCRSA-N	2	1	360.418	1.290	10	5		FDBEMP
Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH+]1	ZINC000246696189	537005880	/nfs/dbraw/zinc/00/58/80/537005880.db2.gz	IWFFZKIJOARZRY-GDBMZVCRSA-N	2	1	360.418	1.290	10	5		FDBEMP
Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH+]1	ZINC000174766097	524728650	/nfs/dbraw/zinc/72/86/50/524728650.db2.gz	IWFFZKIJOARZRY-HOCLYGCPSA-N	2	1	360.418	1.290	10	5		FDBEMP
Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH+]1	ZINC000174766097	524728661	/nfs/dbraw/zinc/72/86/61/524728661.db2.gz	IWFFZKIJOARZRY-HOCLYGCPSA-N	2	1	360.418	1.290	10	5		FDBEMP
Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH+]1	ZINC000174766106	524729013	/nfs/dbraw/zinc/72/90/13/524729013.db2.gz	IWFFZKIJOARZRY-ZBFHGGJFSA-N	2	1	360.418	1.290	10	5		FDBEMP
Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H](O)Cn3cc([N+](=O)[O-])cn3)C2)[nH+]1	ZINC000174766106	524729018	/nfs/dbraw/zinc/72/90/18/524729018.db2.gz	IWFFZKIJOARZRY-ZBFHGGJFSA-N	2	1	360.418	1.290	10	5		FDBEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1	ZINC000170941683	258265613	/nfs/dbraw/zinc/26/56/13/258265613.db2.gz	ZFSHOZYYUCRQFM-OAHLLOKOSA-N	2	1	351.447	1.998	10	5		FDBEMP
Cc1cccc(NC[C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)[nH+]1	ZINC000090550072	172266709	/nfs/dbraw/zinc/26/67/09/172266709.db2.gz	GLZUBGBGPLIXGX-HNNXBMFYSA-N	2	1	357.414	1.894	10	5		FDBEMP
Cc1cccc(NC[C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)[nH+]1	ZINC000090550072	172266711	/nfs/dbraw/zinc/26/67/11/172266711.db2.gz	GLZUBGBGPLIXGX-HNNXBMFYSA-N	2	1	357.414	1.894	10	5		FDBEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000137044153	173367263	/nfs/dbraw/zinc/36/72/63/173367263.db2.gz	BJWLYKQLUICUBD-KDOFPFPSSA-N	2	1	351.447	1.653	10	5		FDBEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000137044113	173367253	/nfs/dbraw/zinc/36/72/53/173367253.db2.gz	BJWLYKQLUICUBD-KSSFIOAISA-N	2	1	351.447	1.653	10	5		FDBEMP
COC(=O)COc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-]	ZINC000261997048	672708561	/nfs/dbraw/zinc/70/85/61/672708561.db2.gz	SYICJNJHNGMFLM-CQSZACIVSA-N	2	1	351.403	1.721	10	5		FDBEMP
COC(=O)COc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-]	ZINC000261997048	672708568	/nfs/dbraw/zinc/70/85/68/672708568.db2.gz	SYICJNJHNGMFLM-CQSZACIVSA-N	2	1	351.403	1.721	10	5		FDBEMP
Cc1cccc(NC[C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)[nH+]1	ZINC000090550075	172267088	/nfs/dbraw/zinc/26/70/88/172267088.db2.gz	GLZUBGBGPLIXGX-OAHLLOKOSA-N	2	1	357.414	1.894	10	5		FDBEMP
Cc1cccc(NC[C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)[nH+]1	ZINC000090550075	172267089	/nfs/dbraw/zinc/26/70/89/172267089.db2.gz	GLZUBGBGPLIXGX-OAHLLOKOSA-N	2	1	357.414	1.894	10	5		FDBEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1	ZINC000170941682	258265801	/nfs/dbraw/zinc/26/58/01/258265801.db2.gz	ZFSHOZYYUCRQFM-HNNXBMFYSA-N	2	1	351.447	1.998	10	5		FDBEMP
COC(=O)COc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-]	ZINC000261997044	672708446	/nfs/dbraw/zinc/70/84/46/672708446.db2.gz	SYICJNJHNGMFLM-AWEZNQCLSA-N	2	1	351.403	1.721	10	5		FDBEMP
COC(=O)COc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-]	ZINC000261997044	672708450	/nfs/dbraw/zinc/70/84/50/672708450.db2.gz	SYICJNJHNGMFLM-AWEZNQCLSA-N	2	1	351.403	1.721	10	5		FDBEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1	ZINC000106125550	525621435	/nfs/dbraw/zinc/62/14/35/525621435.db2.gz	RXEIFOCOFRYKQS-ZDUSSCGKSA-N	2	1	364.446	1.218	10	5		FDBEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1	ZINC000106125554	525621226	/nfs/dbraw/zinc/62/12/26/525621226.db2.gz	RXEIFOCOFRYKQS-CYBMUJFWSA-N	2	1	364.446	1.218	10	5		FDBEMP