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-])c1nc(-c2cscc2NC(=O)[N-]S(=O)(=O)c2ccccc2)[nH]c(=O)c1O	ZINC000003582321	562936523	/nfs/dbraw/zinc/93/65/23/562936523.db2.gz	MGZBIBOBYYINBG-UHFFFAOYSA-N	-2	2	436.427	1.413	1	0		IDAFLL
NC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc2cc(C(F)(F)[P@@](=O)([O-])O)ccc2c1	ZINC000012503854	562982593	/nfs/dbraw/zinc/98/25/93/562982593.db2.gz	OWWCIKSGGKYNHT-CYBMUJFWSA-N	-2	2	430.300	1.515	1	0		IDAFLL
NC(=O)[C@@H](CCC(=O)[O-])NC(=O)c1ccc2cc(C(F)(F)[P@](=O)([O-])O)ccc2c1	ZINC000012503854	562982594	/nfs/dbraw/zinc/98/25/94/562982594.db2.gz	OWWCIKSGGKYNHT-CYBMUJFWSA-N	-2	2	430.300	1.515	1	0		IDAFLL
O=P([O-])(O)C(Nc1cc(Br)cc(Br)n1)[P@](=O)([O-])O	ZINC000029489799	563081580	/nfs/dbraw/zinc/08/15/80/563081580.db2.gz	KBCBXKWHYIKOQI-UHFFFAOYSA-N	-2	2	425.894	1.658	1	0		IDAFLL
O=P([O-])(O)C(Nc1cc(Br)cc(Br)n1)[P@@](=O)([O-])O	ZINC000029489799	563081581	/nfs/dbraw/zinc/08/15/81/563081581.db2.gz	KBCBXKWHYIKOQI-UHFFFAOYSA-N	-2	2	425.894	1.658	1	0		IDAFLL
O=P([O-])(O)C(Nc1ncc(Br)cc1Br)[P@](=O)([O-])O	ZINC000013532383	562992124	/nfs/dbraw/zinc/99/21/24/562992124.db2.gz	YARWVPFWWYHTQO-UHFFFAOYSA-N	-2	2	425.894	1.658	1	0		IDAFLL
O=P([O-])(O)C(Nc1ncc(Br)cc1Br)[P@@](=O)([O-])O	ZINC000013532383	562992125	/nfs/dbraw/zinc/99/21/25/562992125.db2.gz	YARWVPFWWYHTQO-UHFFFAOYSA-N	-2	2	425.894	1.658	1	0		IDAFLL
O=C(NC1CC1)c1cccc(-c2cncc(NC(P(=O)([O-])O)[P@](=O)([O-])O)c2)c1	ZINC000084739118	563178900	/nfs/dbraw/zinc/17/89/00/563178900.db2.gz	KXMMWXSNEUMSJS-UHFFFAOYSA-N	-2	2	427.290	1.692	1	0		IDAFLL
O=C(NC1CC1)c1cccc(-c2cncc(NC(P(=O)([O-])O)[P@@](=O)([O-])O)c2)c1	ZINC000084739118	563178902	/nfs/dbraw/zinc/17/89/02/563178902.db2.gz	KXMMWXSNEUMSJS-UHFFFAOYSA-N	-2	2	427.290	1.692	1	0		IDAFLL
CCCCOc1c(OC)cc(CN(CC[NH+](CC(=O)[O-])CC(=O)[O-])C(=O)[O-])cc1OC	ZINC000029217891	563076721	/nfs/dbraw/zinc/07/67/21/563076721.db2.gz	UIRPYYQPGSNXFX-UHFFFAOYSA-N	-2	2	442.465	1.834	1	0		IDAFLL
Cc1nc(NC(P(=O)([O-])O)[P@@](=O)([O-])O)c(Br)cc1Br	ZINC000033818246	563084689	/nfs/dbraw/zinc/08/46/89/563084689.db2.gz	LWEGNLZHTHVUCA-UHFFFAOYSA-N	-2	2	439.921	1.966	1	0		IDAFLL
Cc1nc(NC(P(=O)([O-])O)[P@](=O)([O-])O)c(Br)cc1Br	ZINC000033818246	563084690	/nfs/dbraw/zinc/08/46/90/563084690.db2.gz	LWEGNLZHTHVUCA-UHFFFAOYSA-N	-2	2	439.921	1.966	1	0		IDAFLL