smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@H+](C2CC[NH2+]CC2)C3)[C@H](O)[C@@H]1O	ZINC000097976358	553968978	/nfs/dbraw/zinc/96/89/78/553968978.db2.gz	UCKZXJUOCANNNG-YTXRLFPLSA-N	1	2	522.603	-3.634	10	0		KAAELO
CC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@@H+](Cc2ccc(F)c(F)c2)C3)[C@H](O)[C@@H]1O	ZINC000097976368	553969054	/nfs/dbraw/zinc/96/90/54/553969054.db2.gz	YMCGNUCQSDWEPB-YCYPVUJZSA-N	1	2	565.574	-1.908	10	0		KAAELO
CC(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@H+](Cc2ccc(F)c(F)c2)C3)[C@H](O)[C@@H]1O	ZINC000097976368	553969052	/nfs/dbraw/zinc/96/90/52/553969052.db2.gz	YMCGNUCQSDWEPB-YCYPVUJZSA-N	1	2	565.574	-1.908	10	0		KAAELO
CS(=O)(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@@H+](Cc2ccc(F)c(F)c2)C3)[C@H](O)[C@@H]1O	ZINC000097976415	553969398	/nfs/dbraw/zinc/96/93/98/553969398.db2.gz	JSDQZQGOMYHLTC-AQEFGQRESA-N	1	2	601.629	-2.495	10	0		KAAELO
CS(=O)(=O)N1CCN2C[C@H]1C(=O)NC[C@H]1O[C@@H](CC(=O)N[C@H]3C[C@@H](C2=O)[N@H+](Cc2ccc(F)c(F)c2)C3)[C@H](O)[C@@H]1O	ZINC000097976415	553969397	/nfs/dbraw/zinc/96/93/97/553969397.db2.gz	JSDQZQGOMYHLTC-AQEFGQRESA-N	1	2	601.629	-2.495	10	0		KAAELO
O=C1C[C@@H]2O[C@H](CN(C(=O)C3CCOCC3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](C[N@@H+]3Cc3cccnc3)N1)[C@@H](O)[C@H]2O	ZINC000108317450	571423327	/nfs/dbraw/zinc/42/33/27/571423327.db2.gz	KQTDCRIJKBQKLK-QJDMKIOZSA-N	1	2	587.674	-1.484	10	0		KAAELO
O=C1C[C@@H]2O[C@H](CN(C(=O)C3CCOCC3)C[C@@H]3CN(CCO3)C(=O)[C@@H]3C[C@@H](C[N@H+]3Cc3cccnc3)N1)[C@@H](O)[C@H]2O	ZINC000108317450	571423326	/nfs/dbraw/zinc/42/33/26/571423326.db2.gz	KQTDCRIJKBQKLK-QJDMKIOZSA-N	1	2	587.674	-1.484	10	0		KAAELO
NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000162512575	571532386	/nfs/dbraw/zinc/53/23/86/571532386.db2.gz	KEGKLERTOGWSEO-ZIUUJSQJSA-N	1	2	758.793	-2.564	10	0		KAAELO
NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000162512575	571532385	/nfs/dbraw/zinc/53/23/85/571532385.db2.gz	KEGKLERTOGWSEO-ZIUUJSQJSA-N	1	2	758.793	-2.564	10	0		KAAELO