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([O-])[C@H](NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CCCCC1	ZINC000780571351	939134775	/nfs/dbraw/zinc/13/47/75/939134775.db2.gz	NQYYVMFRWULDGL-PKOBYXMFSA-N	0	2	425.932	3.776	20	0		IHADLN
O=C([O-])[C@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CCCCC1	ZINC000780571351	939134778	/nfs/dbraw/zinc/13/47/78/939134778.db2.gz	NQYYVMFRWULDGL-PKOBYXMFSA-N	0	2	425.932	3.776	20	0		IHADLN
O=C([O-])[C@@H](NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CCCCC1	ZINC000780399318	939115708	/nfs/dbraw/zinc/11/57/08/939115708.db2.gz	UOVQVEBJWDYSSV-MJGOQNOKSA-N	0	2	425.932	3.949	20	0		IHADLN
O=C([O-])[C@H](NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CCCCC1	ZINC000780399316	939115744	/nfs/dbraw/zinc/11/57/44/939115744.db2.gz	UOVQVEBJWDYSSV-IEBWSBKVSA-N	0	2	425.932	3.949	20	0		IHADLN
O=C([O-])[C@@H](NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CCCCC1	ZINC000780571344	939134571	/nfs/dbraw/zinc/13/45/71/939134571.db2.gz	NQYYVMFRWULDGL-HKUYNNGSSA-N	0	2	425.932	3.776	20	0		IHADLN
O=C([O-])[C@@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CCCCC1	ZINC000780571344	939134574	/nfs/dbraw/zinc/13/45/74/939134574.db2.gz	NQYYVMFRWULDGL-HKUYNNGSSA-N	0	2	425.932	3.776	20	0		IHADLN
O=C([O-])[C@H](NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CCCCC1	ZINC000780399319	939116069	/nfs/dbraw/zinc/11/60/69/939116069.db2.gz	UOVQVEBJWDYSSV-PKOBYXMFSA-N	0	2	425.932	3.949	20	0		IHADLN
O=C([O-])[C@@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CCCCC1	ZINC000780571346	939134753	/nfs/dbraw/zinc/13/47/53/939134753.db2.gz	NQYYVMFRWULDGL-MJGOQNOKSA-N	0	2	425.932	3.776	20	0		IHADLN
O=C([O-])[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CCCCC1	ZINC000780571346	939134754	/nfs/dbraw/zinc/13/47/54/939134754.db2.gz	NQYYVMFRWULDGL-MJGOQNOKSA-N	0	2	425.932	3.776	20	0		IHADLN
COc1ccc(OCc2nc(C[NH2+][C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cs2)cc1	ZINC000426647299	1126081143	/nfs/dbraw/zinc/08/11/43/1126081143.db2.gz	MRINXZRIMKHFEM-OAQYLSRUSA-N	0	2	437.521	3.998	20	0		IHADLN
COc1ccc(OCc2nc(C[NH2+][C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cs2)cc1	ZINC000426647297	1126081170	/nfs/dbraw/zinc/08/11/70/1126081170.db2.gz	MRINXZRIMKHFEM-NRFANRHFSA-N	0	2	437.521	3.998	20	0		IHADLN
O=C([O-])[C@@H](NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C1CCCCC1	ZINC000780399315	939115840	/nfs/dbraw/zinc/11/58/40/939115840.db2.gz	UOVQVEBJWDYSSV-HKUYNNGSSA-N	0	2	425.932	3.949	20	0		IHADLN
O=C([O-])C1(NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)Cc2ccccc2C1	ZINC001119636061	939815125	/nfs/dbraw/zinc/81/51/25/939815125.db2.gz	XAKLNVWLDWJPBH-IBGZPJMESA-N	0	2	445.922	3.537	20	0		IHADLN
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cnc(Cl)c(Cl)c1	ZINC000002621580	562928558	/nfs/dbraw/zinc/92/85/58/562928558.db2.gz	MDHVSJFVNXZDHJ-UHFFFAOYSA-N	0	2	429.310	3.898	20	0		IHADLN
O=C([O-])C1(NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)Cc2ccccc2C1	ZINC001119636062	939815235	/nfs/dbraw/zinc/81/52/35/939815235.db2.gz	XAKLNVWLDWJPBH-LJQANCHMSA-N	0	2	445.922	3.537	20	0		IHADLN
O=C([O-])[C@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CCCCC1	ZINC000780571345	939134734	/nfs/dbraw/zinc/13/47/34/939134734.db2.gz	NQYYVMFRWULDGL-IEBWSBKVSA-N	0	2	425.932	3.776	20	0		IHADLN
O=C([O-])[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CCCCC1	ZINC000780571345	939134735	/nfs/dbraw/zinc/13/47/35/939134735.db2.gz	NQYYVMFRWULDGL-IEBWSBKVSA-N	0	2	425.932	3.776	20	0		IHADLN