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(Nc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cc1)c1cc(O)c([O-])c(O)c1	ZINC000043017238	563116974	/nfs/dbraw/zinc/11/69/74/563116974.db2.gz	FTOBXSMPDATVNH-UHFFFAOYSA-N	-2	3	436.392	3.135	1	10		IGCFHL
COc1cc2c(cc(C(=O)[O-])nc2C(=O)c2ccc([O-])c(O)c2)c(Br)c1[O-]	ZINC000013470142	562987702	/nfs/dbraw/zinc/98/77/02/562987702.db2.gz	GUWSZCONKNJQQX-UHFFFAOYSA-N	-3	3	434.198	3.052	1	10		IGCFHL
COc1cc2cc(C(=O)[O-])nc(C(=O)c3ccc([O-])c(O)c3)c2c(Br)c1[O-]	ZINC000013470140	562987678	/nfs/dbraw/zinc/98/76/78/562987678.db2.gz	IJKZXTUQQILWMJ-UHFFFAOYSA-N	-3	3	434.198	3.052	1	10		IGCFHL
Cc1cc([O-])c2c(c1)C(=O)c1c(Br)c([O-])c(Br)c([O-])c1C2=O	ZINC000038428321	563097709	/nfs/dbraw/zinc/09/77/09/563097709.db2.gz	GPTMXAZKVCUZCW-UHFFFAOYSA-N	-3	3	428.032	3.412	1	10		IGCFHL
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(O)c([O-])c(O)c3)cc2)c1	ZINC000043062469	563117722	/nfs/dbraw/zinc/11/77/22/563117722.db2.gz	VUQDCYLXXICKOQ-UHFFFAOYSA-N	-2	3	428.466	3.473	1	10		IGCFHL
O=C([O-])[C@@H]1CN(c2ccc(F)cc2)c2c(O)c3c(c([O-])c2C1=O)C(=O)c1ccccc1C3=O	ZINC000040465192	563103845	/nfs/dbraw/zinc/10/38/45/563103845.db2.gz	XCYVLWWDDNOILP-CQSZACIVSA-N	-2	3	447.374	3.048	1	10		IGCFHL
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(O)c([O-])c(O)c3)cc2)cc1C	ZINC000043024693	563117363	/nfs/dbraw/zinc/11/73/63/563117363.db2.gz	GMGHNZMCRJINGZ-UHFFFAOYSA-N	-2	3	428.466	3.473	1	10		IGCFHL
O=C([O-])[C@H]1CN(c2ccc(F)cc2)c2c(O)c3c(c([O-])c2C1=O)C(=O)c1ccccc1C3=O	ZINC000040465193	563103852	/nfs/dbraw/zinc/10/38/52/563103852.db2.gz	XCYVLWWDDNOILP-AWEZNQCLSA-N	-2	3	447.374	3.048	1	10		IGCFHL