smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CN1CCN(C(=O)[O-])CC1=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000831488262	604212927	/nfs/dbraw/zinc/21/29/27/604212927.db2.gz	BNNZQEICCYELDC-UHFFFAOYSA-N	-2	0	387.330	-1.383	20	5		GABDRL
O=C([O-])C[C@@H](C(=O)OCC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1)[C@@H](O)C(=O)[O-]	ZINC001224799746	1074066478	/nfs/dbraw/zinc/06/64/78/1074066478.db2.gz	LTMVYGIEIAKMKL-SVGQVSJJSA-N	-2	0	379.234	-2.842	20	5		GABDRL
O=C([O-])C[C@H](C(=O)OCC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1)[C@H](O)C(=O)[O-]	ZINC001224799747	1074066337	/nfs/dbraw/zinc/06/63/37/1074066337.db2.gz	LTMVYGIEIAKMKL-XNCJUZBTSA-N	-2	0	379.234	-2.842	20	5		GABDRL
O=C([O-])C[C@@H](C(=O)OCC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1)[C@H](O)C(=O)[O-]	ZINC001224799748	1074066346	/nfs/dbraw/zinc/06/63/46/1074066346.db2.gz	LTMVYGIEIAKMKL-XRGYYRRGSA-N	-2	0	379.234	-2.842	20	5		GABDRL
O=C([O-])C[C@H](C(=O)OCC(=O)N1CC([N+](=O)[O-])([N+](=O)[O-])C1)[C@@H](O)C(=O)[O-]	ZINC001224799749	1074066284	/nfs/dbraw/zinc/06/62/84/1074066284.db2.gz	LTMVYGIEIAKMKL-YLWLKBPMSA-N	-2	0	379.234	-2.842	20	5		GABDRL
CCOC(=O)c1[n-]c(=O)nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1[N+](=O)[O-]	ZINC001226015600	1074067514	/nfs/dbraw/zinc/06/75/14/1074067514.db2.gz	JNXCRZAYKSEKAO-SCSAIBSYSA-N	-3	0	397.189	-1.357	20	5		GABDRL
COC(=O)c1[n-]c(=O)nc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1[N+](=O)[O-]	ZINC001226649050	1074068103	/nfs/dbraw/zinc/06/81/03/1074068103.db2.gz	JOJKYVWIYOAPKN-GSVOUGTGSA-N	-3	0	383.162	-1.747	20	5		GABDRL
COC(=O)c1[n-]c(=O)nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1[N+](=O)[O-]	ZINC001226650286	1074068205	/nfs/dbraw/zinc/06/82/05/1074068205.db2.gz	VAINKPKHBBLOGJ-CLTAVNFZSA-N	-3	0	389.229	-1.681	20	5		GABDRL
COC(=O)c1[n-]c(=O)nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1[N+](=O)[O-]	ZINC001226650287	1074068481	/nfs/dbraw/zinc/06/84/81/1074068481.db2.gz	VAINKPKHBBLOGJ-NFNCENRGSA-N	-3	0	389.229	-1.681	20	5		GABDRL
COC(=O)c1[n-]c(=O)nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c1[N+](=O)[O-]	ZINC001226650288	1074068475	/nfs/dbraw/zinc/06/84/75/1074068475.db2.gz	VAINKPKHBBLOGJ-NOWQDGDBSA-N	-3	0	389.229	-1.681	20	5		GABDRL
COC(=O)c1[n-]c(=O)nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c1[N+](=O)[O-]	ZINC001226650289	1074068562	/nfs/dbraw/zinc/06/85/62/1074068562.db2.gz	VAINKPKHBBLOGJ-WVBDSBKLSA-N	-3	0	389.229	-1.681	20	5		GABDRL
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001233626104	1074080689	/nfs/dbraw/zinc/08/06/89/1074080689.db2.gz	DOFXJGHHQICTRO-LDWIPMOCSA-N	-2	0	392.298	-1.316	20	5		GABDRL
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001233626106	1074080840	/nfs/dbraw/zinc/08/08/40/1074080840.db2.gz	DOFXJGHHQICTRO-LHLIQPBNSA-N	-2	0	392.298	-1.316	20	5		GABDRL
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001233626108	1074080805	/nfs/dbraw/zinc/08/08/05/1074080805.db2.gz	DOFXJGHHQICTRO-QUBYGPBYSA-N	-2	0	392.298	-1.316	20	5		GABDRL
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-]	ZINC001233626110	1074080758	/nfs/dbraw/zinc/08/07/58/1074080758.db2.gz	DOFXJGHHQICTRO-WKEGUHRASA-N	-2	0	392.298	-1.316	20	5		GABDRL
NS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001233627760	1074080736	/nfs/dbraw/zinc/08/07/36/1074080736.db2.gz	YXXBSJVAHHCYHO-ZCFIWIBFSA-N	-2	0	386.231	-1.382	20	5		GABDRL