smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)Cc1ccc2cc(Br)c(C(F)(F)[P@@](=O)([O-])O)cc2c1	ZINC000029047636	563072757	/nfs/dbraw/zinc/07/27/57/563072757.db2.gz	BVOGERPEBAZJLZ-UHFFFAOYSA-N	-1	2	429.175	3.374	1	0		IGAFLM
CS(=O)(=O)Cc1ccc2cc(Br)c(C(F)(F)[P@](=O)([O-])O)cc2c1	ZINC000029047636	563072758	/nfs/dbraw/zinc/07/27/58/563072758.db2.gz	BVOGERPEBAZJLZ-UHFFFAOYSA-N	-1	2	429.175	3.374	1	0		IGAFLM
O=[P@@]([O-])(O)[C@@H](Cc1ccccc1)N[C@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1	ZINC000087676236	563180107	/nfs/dbraw/zinc/18/01/07/563180107.db2.gz	NAOAQOAPOBTFLY-YADHBBJMSA-N	-1	2	449.451	3.487	1	0		IGAFLM
O=[P@]([O-])(O)[C@@H](Cc1ccccc1)N[C@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1	ZINC000087676236	563180108	/nfs/dbraw/zinc/18/01/08/563180108.db2.gz	NAOAQOAPOBTFLY-YADHBBJMSA-N	-1	2	449.451	3.487	1	0		IGAFLM
COc1ccc(NS(=O)(=O)c2ccccc2Br)cc1N1CC[NH+](C)CC1	ZINC000045302742	563129590	/nfs/dbraw/zinc/12/95/90/563129590.db2.gz	SJMBDQZKEQESDI-UHFFFAOYSA-N	-1	2	440.363	3.010	1	0		IGAFLM
O=C([O-])C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc2c1=O	ZINC000043063010	563117743	/nfs/dbraw/zinc/11/77/43/563117743.db2.gz	SWTCOVTZHCWWLN-UHFFFAOYSA-N	-1	2	446.228	3.178	1	0		IGAFLM
O=[P@@]([O-])(O)[C@H](Cc1ccccc1)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1	ZINC000087676235	563180116	/nfs/dbraw/zinc/18/01/16/563180116.db2.gz	NAOAQOAPOBTFLY-FCHUYYIVSA-N	-1	2	449.451	3.487	1	0		IGAFLM
O=[P@]([O-])(O)[C@H](Cc1ccccc1)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1	ZINC000087676235	563180117	/nfs/dbraw/zinc/18/01/17/563180117.db2.gz	NAOAQOAPOBTFLY-FCHUYYIVSA-N	-1	2	449.451	3.487	1	0		IGAFLM
CC(C)Cn1c(-c2ccc([P@@](=O)([O-])O)o2)nc2c1c(Br)cc(F)c2N	ZINC000045299474	563128950	/nfs/dbraw/zinc/12/89/50/563128950.db2.gz	YXKXJQUMLFQSLP-UHFFFAOYSA-N	-1	2	432.186	3.239	1	0		IGAFLM
CC(C)Cn1c(-c2ccc([P@](=O)([O-])O)o2)nc2c1c(Br)cc(F)c2N	ZINC000045299474	563128951	/nfs/dbraw/zinc/12/89/51/563128951.db2.gz	YXKXJQUMLFQSLP-UHFFFAOYSA-N	-1	2	432.186	3.239	1	0		IGAFLM
Cc1cccc(Cl)c1CNC(=O)Nc1ccsc1-c1nc(C(=O)[O-])c(O)c(=O)[nH]1	ZINC000003583406	562936632	/nfs/dbraw/zinc/93/66/32/562936632.db2.gz	OJIOGXGREHMVEE-UHFFFAOYSA-N	-1	2	434.861	3.186	1	0		IGAFLM
O=C([O-])c1nc(-c2sccc2NC(=O)Cc2csc3ccccc23)[nH]c(=O)c1O	ZINC000003583400	562936627	/nfs/dbraw/zinc/93/66/27/562936627.db2.gz	YAVCDOHXIACIMS-UHFFFAOYSA-N	-1	2	427.463	3.298	1	0		IGAFLM
O=P([O-])(O)C(C[n+]1cccc(-c2cccc3c4ccccc4oc32)c1)[P@](=O)([O-])O	ZINC000029056961	563073505	/nfs/dbraw/zinc/07/35/05/563073505.db2.gz	QKPQSRJHSXGWTB-UHFFFAOYSA-O	-1	2	434.301	3.222	1	0		IGAFLM
O=P([O-])(O)C(C[n+]1cccc(-c2cccc3c4ccccc4oc32)c1)[P@@](=O)([O-])O	ZINC000029056961	563073506	/nfs/dbraw/zinc/07/35/06/563073506.db2.gz	QKPQSRJHSXGWTB-UHFFFAOYSA-O	-1	2	434.301	3.222	1	0		IGAFLM
O=[P@@]([O-])(O)[C@H](Cc1ccccc1)N[C@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1	ZINC000087676237	563180094	/nfs/dbraw/zinc/18/00/94/563180094.db2.gz	NAOAQOAPOBTFLY-FGZHOGPDSA-N	-1	2	449.451	3.487	1	0		IGAFLM
O=[P@]([O-])(O)[C@H](Cc1ccccc1)N[C@H](Cc1ccc(-c2ccccc2)cc1)c1nn[nH]n1	ZINC000087676237	563180095	/nfs/dbraw/zinc/18/00/95/563180095.db2.gz	NAOAQOAPOBTFLY-FGZHOGPDSA-N	-1	2	449.451	3.487	1	0		IGAFLM
O=C([O-])c1nc(-c2sccc2NC(=O)NCc2csc3ccccc23)[nH]c(=O)c1O	ZINC000003583352	562936644	/nfs/dbraw/zinc/93/66/44/562936644.db2.gz	OPAZLNFXAREFMG-UHFFFAOYSA-N	-1	2	442.478	3.439	1	0		IGAFLM
CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(c2)CCC3)c(O)cc1O[P@@](=O)([O-])O	ZINC000059113723	563146234	/nfs/dbraw/zinc/14/62/34/563146234.db2.gz	BYPDYJHVTIARDI-UHFFFAOYSA-N	-1	2	431.385	3.017	1	0		IGAFLM
CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(c2)CCC3)c(O)cc1O[P@](=O)([O-])O	ZINC000059113723	563146235	/nfs/dbraw/zinc/14/62/35/563146235.db2.gz	BYPDYJHVTIARDI-UHFFFAOYSA-N	-1	2	431.385	3.017	1	0		IGAFLM
CCCc1[nH+]c(C(=O)[O-])c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000003792193	562938036	/nfs/dbraw/zinc/93/80/36/562938036.db2.gz	GSUQFFAIQCAYST-UHFFFAOYSA-N	-1	2	432.440	3.127	1	0		IGAFLM