smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[P@]([O-])(O)[C@@H](Cc1ccccc1)N[C@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1	ZINC000087676236	563180106	/nfs/dbraw/zinc/18/01/06/563180106.db2.gz	NAOAQOAPOBTFLY-YADHBBJMSA-N	-2	1	449.451	3.487	1	0		IGAFML
COc1cc([O-])c2c(=O)c(OC)c(-c3cccc(Cl)c3OCC(=O)[O-])oc2c1OC	ZINC000045231169	563126204	/nfs/dbraw/zinc/12/62/04/563126204.db2.gz	RYQBXXYMTJWYMG-UHFFFAOYSA-N	-2	1	436.800	3.308	1	0		IGAFML
O=[P@]([O-])(O)[C@H](Cc1ccccc1)N[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1	ZINC000087676235	563180115	/nfs/dbraw/zinc/18/01/15/563180115.db2.gz	NAOAQOAPOBTFLY-FCHUYYIVSA-N	-2	1	449.451	3.487	1	0		IGAFML
COc1ccc(Oc2ccc(F)cc2)cc1CCC[C@@H]([P@](=O)([O-])O)S(=O)(=O)[O-]	ZINC000045505859	563134802	/nfs/dbraw/zinc/13/48/02/563134802.db2.gz	RCEOJTHKSXBGNA-KRWDZBQOSA-N	-2	1	434.378	3.341	1	0		IGAFML
COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1	ZINC000000786439	562919153	/nfs/dbraw/zinc/91/91/53/562919153.db2.gz	NNOAIIDBGATZSX-UHFFFAOYSA-N	-2	1	426.450	3.447	3	0		IGAFML
O=C([O-])Cc1nn(Cc2nc3cc(C(F)(F)F)c([O-])cc3s2)c(=O)c2ccccc12	ZINC000000596323	562918370	/nfs/dbraw/zinc/91/83/70/562918370.db2.gz	XPQLLXHISGLZKA-UHFFFAOYSA-N	-2	1	435.383	3.406	1	0		IGAFML
Cc1cccc(Cl)c1CNC(=O)Nc1ccsc1C1=NC(C(=O)[O-])C(=O)C(=O)[N-]1	ZINC000003583406	562936630	/nfs/dbraw/zinc/93/66/30/562936630.db2.gz	OJIOGXGREHMVEE-UHFFFAOYSA-N	-2	1	434.861	3.186	1	0		IGAFML
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)c(-c3c4c(ccc3O)OCO4)c2)c1	ZINC000045495802	563134403	/nfs/dbraw/zinc/13/44/03/563134403.db2.gz	UJIKQCUHPWANKS-UHFFFAOYSA-N	-2	1	431.397	3.426	1	0		IGAFML
C/C(=C\CO[P@@](=O)([O-])O[P@@](=O)([O-])O)COc1cccc(C(=O)c2ccccc2)c1	ZINC000040434552	563103715	/nfs/dbraw/zinc/10/37/15/563103715.db2.gz	PDIWSWUTUXPEGR-GXDHUFHOSA-N	-2	1	442.297	3.469	1	0		IGAFML
C/C(=C\CO[P@@](=O)([O-])O[P@](=O)([O-])O)COc1cccc(C(=O)c2ccccc2)c1	ZINC000040434552	563103716	/nfs/dbraw/zinc/10/37/16/563103716.db2.gz	PDIWSWUTUXPEGR-GXDHUFHOSA-N	-2	1	442.297	3.469	1	0		IGAFML
O=[P@]([O-])(O)[C@H](Cc1ccccc1)N[C@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1	ZINC000087676237	563180093	/nfs/dbraw/zinc/18/00/93/563180093.db2.gz	NAOAQOAPOBTFLY-FGZHOGPDSA-N	-2	1	449.451	3.487	1	0		IGAFML
COc1ccc(Oc2ccc(F)cc2)cc1CCC[C@H]([P@](=O)([O-])O)S(=O)(=O)[O-]	ZINC000045505861	563134823	/nfs/dbraw/zinc/13/48/23/563134823.db2.gz	RCEOJTHKSXBGNA-QGZVFWFLSA-N	-2	1	434.378	3.341	1	0		IGAFML
COc1ccc(-c2oc3c4c(cc([O-])c3c(=O)c2O)OC(C)(C)CC4)cc1S(=O)(=O)[O-]	ZINC000043077931	563118397	/nfs/dbraw/zinc/11/83/97/563118397.db2.gz	ASXSCWPVQXPLAZ-UHFFFAOYSA-N	-2	1	448.449	3.230	1	0		IGAFML
C/C(=C\CO[P@@](=O)([O-])O[P@@](=O)([O-])O)COc1ccc(C(=O)c2ccccc2)cc1	ZINC000040440056	563103674	/nfs/dbraw/zinc/10/36/74/563103674.db2.gz	ITZCSRRHGMNXSF-SDNWHVSQSA-N	-2	1	442.297	3.469	1	0		IGAFML
C/C(=C\CO[P@@](=O)([O-])O[P@](=O)([O-])O)COc1ccc(C(=O)c2ccccc2)cc1	ZINC000040440056	563103676	/nfs/dbraw/zinc/10/36/76/563103676.db2.gz	ITZCSRRHGMNXSF-SDNWHVSQSA-N	-2	1	442.297	3.469	1	0		IGAFML