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-])c1ccc(NS(=O)(=O)c2cc3c(c(S(=O)(=O)Nc4ccc(C(=O)[O-])cc4)c2)OCCO3)cc1	ZINC000003204260	552304347	/nfs/dbraw/zinc/30/43/47/552304347.db2.gz	HBGPAQUCYWOVMU-UHFFFAOYSA-N	-2	2	534.524	2.456	50	0		KEAALL
O=P([O-])(O)COc1ccccc1OCCOCCOCCOc1ccccc1OC[P@@](=O)([O-])O	ZINC000022590120	1066205407	/nfs/dbraw/zinc/20/54/07/1066205407.db2.gz	KXXIAGHOJUVALX-UHFFFAOYSA-N	-2	2	522.380	2.206	50	0		KEAALL
O=P([O-])(O)COc1ccccc1OCCOCCOCCOc1ccccc1OC[P@](=O)([O-])O	ZINC000022590120	1066205397	/nfs/dbraw/zinc/20/53/97/1066205397.db2.gz	KXXIAGHOJUVALX-UHFFFAOYSA-N	-2	2	522.380	2.206	50	0		KEAALL