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-])[C@@H]1CN(C2CC2)c2c(O)c3c(c([O-])c2C1=O)C(=O)c1ccccc1C3=O	ZINC000040465101	132405157	/nfs/dbraw/zinc/40/51/57/132405157.db2.gz	RNFJOMKGAWRBTN-LLVKDONJSA-N	-2	3	393.351	1.739	1	10		GDCFHL
C[C@]12CC[C@H](O)[C@H](O1)c1c([O-])c3c(cc1O2)C(=O)c1cc([O-])cc(O)c1C3=O	ZINC000077257237	209218012	/nfs/dbraw/zinc/21/80/12/209218012.db2.gz	JJXUKZWOMSARJK-UUADDVKTSA-N	-2	3	384.340	1.900	1	10		GDCFHL
CCCCc1c(OC)cc([O-])c2c1C(=O)c1[nH+]c(C(=O)[O-])c([O-])c([O-])c1C2=O	ZINC000004772320	209190142	/nfs/dbraw/zinc/19/01/42/209190142.db2.gz	YGIXUDSUMVVCHC-UHFFFAOYSA-N	-3	3	387.344	1.611	1	10		GDCFHL
Cn1c2ccccc2c2ccc(C[C@@H](NCP(=O)([O-])[O-])c3nnn[n-]3)cc21	ZINC000013805004	210091540	/nfs/dbraw/zinc/09/15/40/210091540.db2.gz	CVLPLAHWGXBTKP-CQSZACIVSA-N	-3	3	386.352	1.853	1	10		GDCFHL
Cn1c2ccccc2c2ccc(C[C@@H](NCP(=O)([O-])[O-])c3nn[n-]n3)cc21	ZINC000013805004	210091545	/nfs/dbraw/zinc/09/15/45/210091545.db2.gz	CVLPLAHWGXBTKP-CQSZACIVSA-N	-3	3	386.352	1.853	1	10		GDCFHL
Cn1c2ccccc2c2ccc(C[C@H](NCP(=O)([O-])[O-])c3nnn[n-]3)cc21	ZINC000013805007	221289817	/nfs/dbraw/zinc/28/98/17/221289817.db2.gz	CVLPLAHWGXBTKP-AWEZNQCLSA-N	-3	3	386.352	1.853	1	10		GDCFHL
Cn1c2ccccc2c2ccc(C[C@H](NCP(=O)([O-])[O-])c3nn[n-]n3)cc21	ZINC000013805007	221289820	/nfs/dbraw/zinc/28/98/20/221289820.db2.gz	CVLPLAHWGXBTKP-AWEZNQCLSA-N	-3	3	386.352	1.853	1	10		GDCFHL