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)n1	ZINC000246696211	537005681	/nfs/dbraw/zinc/00/56/81/537005681.db2.gz	IWFFZKIJOARZRY-GOEBONIOSA-N	2	0	360.418	1.290	10	5		FDBERP
Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)Cn3cc([N+](=O)[O-])cn3)C2)n1	ZINC000246696189	537005869	/nfs/dbraw/zinc/00/58/69/537005869.db2.gz	IWFFZKIJOARZRY-GDBMZVCRSA-N	2	0	360.418	1.290	10	5		FDBERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1	ZINC000170941683	258265612	/nfs/dbraw/zinc/26/56/12/258265612.db2.gz	ZFSHOZYYUCRQFM-OAHLLOKOSA-N	2	0	351.447	1.998	10	5		FDBERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000137044153	173367262	/nfs/dbraw/zinc/36/72/62/173367262.db2.gz	BJWLYKQLUICUBD-KDOFPFPSSA-N	2	0	351.447	1.653	10	5		FDBERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000137044113	173367252	/nfs/dbraw/zinc/36/72/52/173367252.db2.gz	BJWLYKQLUICUBD-KSSFIOAISA-N	2	0	351.447	1.653	10	5		FDBERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1	ZINC000170941682	258265800	/nfs/dbraw/zinc/26/58/00/258265800.db2.gz	ZFSHOZYYUCRQFM-HNNXBMFYSA-N	2	0	351.447	1.998	10	5		FDBERP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1	ZINC000106125550	525621426	/nfs/dbraw/zinc/62/14/26/525621426.db2.gz	RXEIFOCOFRYKQS-ZDUSSCGKSA-N	2	0	364.446	1.218	10	5		FDBERP
COc1ccccc1OP(=O)(NCC[N+](C)(C)C)NCC[N+](C)(C)C	ZINC000002016313	717093660	/nfs/dbraw/zinc/09/36/60/717093660.db2.gz	MDUACGOTINWIEF-UHFFFAOYSA-N	2	0	374.466	1.774	10	5		FDBERP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1	ZINC000106125554	525621217	/nfs/dbraw/zinc/62/12/17/525621217.db2.gz	RXEIFOCOFRYKQS-CYBMUJFWSA-N	2	0	364.446	1.218	10	5		FDBERP