smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCc1cc2c(c(O)c1C(=O)[O-])-c1cc3c(c([O-])c1[C@H](O)C2)C(=O)c1c(O)cc([O-])cc1C3=O	ZINC000013376474	560215557	/nfs/dbraw/zinc/21/55/57/560215557.db2.gz	RKXRXHADKSOULC-QGZVFWFLSA-N	-3	3	504.491	3.972	10	10	in-vitro	KHCEHL
CCCCCc1cc2c(c(O)c1C(=O)[O-])-c1cc3c(c([O-])c1[C@@H](O)C2)C(=O)c1c(O)cc([O-])cc1C3=O	ZINC000013376475	560215572	/nfs/dbraw/zinc/21/55/72/560215572.db2.gz	RKXRXHADKSOULC-KRWDZBQOSA-N	-3	3	504.491	3.972	10	10	in-vitro	KHCEHL
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](C)O1	ZINC000094313253	553697529	/nfs/dbraw/zinc/69/75/29/553697529.db2.gz	HGBZBLPEFVMINN-BCCBPGDESA-N	-2	3	772.638	3.522	10	10	in-vitro	KHCEHL
COc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1[O-]	ZINC000100320923	554305100	/nfs/dbraw/zinc/30/51/00/554305100.db2.gz	FKWZGSDACBUUGP-XGICHPGQSA-N	-2	3	512.179	3.757	10	10		KHCEHL