smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCN1C(=O)C(=CNc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)C(=O)[N-]C1=S	ZINC000814296413	1074013900	/nfs/dbraw/zinc/01/39/00/1074013900.db2.gz	XBFFPXGPJBROBK-LCYFTJDESA-N	-2	1	426.476	-0.303	20	10		IBCDML
COCCN1C(=O)C(=CNc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)C(=O)[N-]C1=S	ZINC000814296414	1074014107	/nfs/dbraw/zinc/01/41/07/1074014107.db2.gz	XBFFPXGPJBROBK-UKTHLTGXSA-N	-2	1	426.476	-0.303	20	10		IBCDML
O=C([O-])c1cc2c([nH]1)-c1c(C(=O)NC[C@@H]3COCCN3)cc(C(=O)[O-])nc1C(=O)C2=O	ZINC001220431985	1073390404	/nfs/dbraw/zinc/39/04/04/1073390404.db2.gz	UVDJDPQJGFHNGT-SSDOTTSWSA-N	-2	1	428.357	-0.430	20	10		IBCDML
O=C([O-])c1cc2c([nH]1)-c1c(C(=O)NC[C@H]3COCCN3)cc(C(=O)[O-])nc1C(=O)C2=O	ZINC001220431986	1073390498	/nfs/dbraw/zinc/39/04/98/1073390498.db2.gz	UVDJDPQJGFHNGT-ZETCQYMHSA-N	-2	1	428.357	-0.430	20	10		IBCDML