smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(C(=O)[O-])c(O)cc2cc3c(c(O)c12)C(=O)c1c(O)cc(O)cc1C3=O	ZINC000004654696	560198938	/nfs/dbraw/zinc/19/89/38/560198938.db2.gz	OXCNORDLEQIUCT-UHFFFAOYSA-N	-1	1	380.308	2.444	10	10	in-vitro	GECEMM
O=C1CCCC(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1	ZINC000012202666	204382945	/nfs/dbraw/zinc/38/29/45/204382945.db2.gz	TUUPBKAIFSVMCY-UHFFFAOYSA-N	-1	1	388.401	2.260	10	10		GECEMM
Cc1cc2c(c3oc([C@@]4([C@H]5CO5)CO4)cc(=O)c13)C(=O)c1c([O-])cccc1C2=O	ZINC000006070328	560205023	/nfs/dbraw/zinc/20/50/23/560205023.db2.gz	FKRPAYLQUQJMJZ-IVZQSRNASA-N	-1	1	390.347	2.207	10	10	in-vitro	GECEMM
Cc1cc2c(c3oc([C@]4([C@@H]5CO5)CO4)cc(=O)c13)C(=O)c1c([O-])cccc1C2=O	ZINC000006070324	560204979	/nfs/dbraw/zinc/20/49/79/560204979.db2.gz	FKRPAYLQUQJMJZ-NYHFZMIOSA-N	-1	1	390.347	2.207	10	10	in-vitro	GECEMM
Cc1cc2c(c3oc([C@@]4([C@@H]5CO5)CO4)cc(=O)c13)C(=O)c1c([O-])cccc1C2=O	ZINC000006070326	560205031	/nfs/dbraw/zinc/20/50/31/560205031.db2.gz	FKRPAYLQUQJMJZ-OYHNWAKOSA-N	-1	1	390.347	2.207	10	10	in-vitro	GECEMM
Cc1cc2c(c3oc([C@]4([C@H]5CO5)CO4)cc(=O)c13)C(=O)c1c([O-])cccc1C2=O	ZINC000006070325	560204964	/nfs/dbraw/zinc/20/49/64/560204964.db2.gz	FKRPAYLQUQJMJZ-QRQCRPRQSA-N	-1	1	390.347	2.207	10	10	in-vitro	GECEMM
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc([O-])c(Sc3nc[nH]n3)c2)c1	ZINC000008859975	221061717	/nfs/dbraw/zinc/06/17/17/221061717.db2.gz	ZIWYLPGMTQRJMM-UHFFFAOYSA-N	-1	1	393.406	2.371	10	10		GECEMM