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-])CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc[nH]2)SC1=S	ZINC000027231384	304057568	/nfs/dbraw/zinc/05/75/68/304057568.db2.gz	MDPVHJGWDFPVIO-CYXIBPNKSA-N	-2	0	340.382	1.534	10	10		EDCERL
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccco2)SC1=S	ZINC000019891108	212080012	/nfs/dbraw/zinc/08/00/12/212080012.db2.gz	JCEUAIVUPQJNHL-OJKBXMANSA-N	-2	0	327.339	1.409	10	10		EDCERL
O=C([O-])[C@@H](c1ccc(O)c(O)c1)[C@@H](C(=O)[O-])c1ccc(O)c(O)c1	ZINC000013587792	211587290	/nfs/dbraw/zinc/58/72/90/211587290.db2.gz	UMAASMUXEBOCLH-KBPBESRZSA-N	-2	0	334.280	1.546	10	10		EDCERL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc[nH]2)SC1=S	ZINC000027231389	304060695	/nfs/dbraw/zinc/06/06/95/304060695.db2.gz	MDPVHJGWDFPVIO-GTUWVTDSSA-N	-2	0	340.382	1.534	10	10		EDCERL
O=C([O-])[C@H](c1ccc(O)c(O)c1)[C@H](C(=O)[O-])c1ccc(O)c(O)c1	ZINC000013587793	211586680	/nfs/dbraw/zinc/58/66/80/211586680.db2.gz	UMAASMUXEBOCLH-ZIAGYGMSSA-N	-2	0	334.280	1.546	10	10		EDCERL
O=C([O-])CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccco2)SC1=S	ZINC000019891115	212079614	/nfs/dbraw/zinc/07/96/14/212079614.db2.gz	PYTVVQHHLPUAGB-WSQKDGNHSA-N	-2	0	341.366	1.799	10	10		EDCERL
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccco2)SC1=S	ZINC000019891110	212079660	/nfs/dbraw/zinc/07/96/60/212079660.db2.gz	JCEUAIVUPQJNHL-UDGZVJEDSA-N	-2	0	327.339	1.409	10	10		EDCERL
O=C([O-])c1ccccc1NS(=O)(=O)Nc1ccccc1C(=O)[O-]	ZINC000038633193	441615467	/nfs/dbraw/zinc/61/54/67/441615467.db2.gz	JHQQIVLTXNUMPL-UHFFFAOYSA-N	-2	0	336.325	1.852	10	10		EDCERL