smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNc1ccc2c(c1O)C([O-])=C1C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H](N(C)C)[C@@H]3C[C@@H]1C2	ZINC000065747853	522648952	/nfs/dbraw/zinc/64/89/52/522648952.db2.gz	KTQLKXJOFVMDMQ-REXXEDAASA-N	-2	3	443.456	0.162	10	30	in-vitro	ICEEHL
CNc1ccc2c(c1O)C([O-])=C1C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3C[C@@H]1C2	ZINC000065747853	522648942	/nfs/dbraw/zinc/64/89/42/522648942.db2.gz	KTQLKXJOFVMDMQ-REXXEDAASA-N	-2	3	443.456	0.162	10	30	in-vitro	ICEEHL
C[C@@H]1O[C@@H]2CC(=O)O[C@@H]2c2cc3c(c([O-])c21)C(=O)C(=O)C([C@@H]1C[C@H](O)[C@H](O)[C@H](C)O1)=C3[O-]	ZINC000604379902	557236066	/nfs/dbraw/zinc/23/60/66/557236066.db2.gz	MMUVZKKSMJKEMT-GBXPFFPJSA-N	-2	3	446.408	0.930	10	30		ICEEHL
C[C@@H]1O[C@@H]2CC(=O)O[C@@H]2c2cc3c(c([O-])c21)C(=O)C([O-])=C([C@@H]1C[C@H](O)[C@H](O)[C@H](C)O1)C3=O	ZINC000604379902	557236061	/nfs/dbraw/zinc/23/60/61/557236061.db2.gz	MMUVZKKSMJKEMT-GBXPFFPJSA-N	-2	3	446.408	0.930	10	30		ICEEHL
C[C@@H]1O[C@@H]2CC(=O)O[C@@H]2c2cc3c(c([O-])c21)C(=O)C(=O)C([C@@H]1C[C@H](O)[C@@H](O)[C@H](C)O1)=C3[O-]	ZINC000604379903	557236046	/nfs/dbraw/zinc/23/60/46/557236046.db2.gz	MMUVZKKSMJKEMT-GHRUGENZSA-N	-2	3	446.408	0.930	10	30		ICEEHL
C[C@@H]1O[C@@H]2CC(=O)O[C@@H]2c2cc3c(c([O-])c21)C(=O)C([O-])=C([C@@H]1C[C@H](O)[C@@H](O)[C@H](C)O1)C3=O	ZINC000604379903	557236038	/nfs/dbraw/zinc/23/60/38/557236038.db2.gz	MMUVZKKSMJKEMT-GHRUGENZSA-N	-2	3	446.408	0.930	10	30		ICEEHL
C[C@H]1O[C@H](C2=C([O-])c3cc4c(c([O-])c3C(=O)C2=O)[C@H](C)O[C@@H]2CC(=O)O[C@H]42)C[C@H](O)[C@H]1O	ZINC000604379904	557236244	/nfs/dbraw/zinc/23/62/44/557236244.db2.gz	MMUVZKKSMJKEMT-PKSPVTCVSA-N	-2	3	446.408	0.930	10	30		ICEEHL
C[C@H]1O[C@H](C2=C([O-])C(=O)c3c([O-])c4c(cc3C2=O)[C@H]2OC(=O)C[C@H]2O[C@H]4C)C[C@H](O)[C@H]1O	ZINC000604379904	557236242	/nfs/dbraw/zinc/23/62/42/557236242.db2.gz	MMUVZKKSMJKEMT-PKSPVTCVSA-N	-2	3	446.408	0.930	10	30		ICEEHL
C[C@H]1O[C@H](C2=C([O-])c3cc4c(c([O-])c3C(=O)C2=O)[C@H](C)O[C@@H]2CC(=O)O[C@H]42)C[C@H](O)[C@@H]1O	ZINC000604379905	557236201	/nfs/dbraw/zinc/23/62/01/557236201.db2.gz	MMUVZKKSMJKEMT-SLGYWOFISA-N	-2	3	446.408	0.930	10	30		ICEEHL
C[C@H]1O[C@H](C2=C([O-])C(=O)c3c([O-])c4c(cc3C2=O)[C@H]2OC(=O)C[C@H]2O[C@H]4C)C[C@H](O)[C@@H]1O	ZINC000604379905	557236196	/nfs/dbraw/zinc/23/61/96/557236196.db2.gz	MMUVZKKSMJKEMT-SLGYWOFISA-N	-2	3	446.408	0.930	10	30		ICEEHL