smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(OCC)C(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c([O-])c2[C@@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O	ZINC000004212860	561694262	/nfs/dbraw/zinc/69/42/62/561694262.db2.gz	XZSRRNFBEIOBDA-CFNBKWCHSA-N	0	3	673.668	0.951	10	10	in-man	KCCEHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)([C@@H](C)O)C[C@@H]3O[C@H]1C[C@H]([NH3+])[C@H](O)[C@H](C)O1	ZINC000004654754	552471387	/nfs/dbraw/zinc/47/13/87/552471387.db2.gz	HJEZFVLKJYFNQW-OXCIRTNUSA-N	0	3	529.542	0.821	10	10	in-vitro	KCCEHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)([C@H](C)O)C[C@@H]3O[C@H]1C[C@H]([NH3+])[C@H](O)[C@H](C)O1	ZINC000004654756	561695095	/nfs/dbraw/zinc/69/50/95/561695095.db2.gz	HJEZFVLKJYFNQW-PRFXOSGESA-N	0	3	529.542	0.821	10	10	in-vitro	KCCEHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H]([NH3+])[C@@H](O)[C@H](C)O1	ZINC000038147448	562065530	/nfs/dbraw/zinc/06/55/30/562065530.db2.gz	AOJJSUZBOXZQNB-ZRGDBVEMSA-N	0	3	543.525	0.001	10	10		KCCEHN
CC(=O)NCCNC(=O)C[C@@H]1CCN2C[C@@H]1CCCOc1ccc(N3CCNCC3)cc1CNCC2=O	ZINC000072320699	553647932	/nfs/dbraw/zinc/64/79/32/553647932.db2.gz	OVXDBGFQRIGPQZ-VXKWHMMOSA-N	0	3	514.671	0.466	10	10		KCCEHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3O[C@H]1C[C@H]([NH3+])[C@@H](O)[C@H](C)O1	ZINC000096023561	553723114	/nfs/dbraw/zinc/72/31/14/553723114.db2.gz	AOJJSUZBOXZQNB-SQGPBGNMSA-N	0	3	543.525	0.001	10	10		KCCEHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@@H]([NH3+])[C@H](O)[C@@H](C)O1	ZINC000144197573	571456354	/nfs/dbraw/zinc/45/63/54/571456354.db2.gz	AOJJSUZBOXZQNB-NRLTTXDESA-N	0	3	543.525	0.001	10	10		KCCEHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)([C@H](C)O)C[C@@H]3O[C@@H]1C[C@H]([NH3+])[C@H](O)[C@H](C)O1	ZINC000225364853	562880814	/nfs/dbraw/zinc/88/08/14/562880814.db2.gz	HJEZFVLKJYFNQW-NXNPZDIBSA-N	0	3	529.542	0.821	10	10		KCCEHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)([C@H](C)O)C[C@@H]3O[C@@H]1C[C@H]([NH3+])[C@@H](O)[C@H](C)O1	ZINC000253393373	562881826	/nfs/dbraw/zinc/88/18/26/562881826.db2.gz	HJEZFVLKJYFNQW-BLTSTNSASA-N	0	3	529.542	0.821	10	10		KCCEHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)([C@H](C)O)C[C@@H]3O[C@@H]1C[C@H]([NH3+])[C@H](O)[C@@H](C)O1	ZINC000253393374	562881821	/nfs/dbraw/zinc/88/18/21/562881821.db2.gz	HJEZFVLKJYFNQW-DYSXXJLTSA-N	0	3	529.542	0.821	10	10		KCCEHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)([C@H](C)O)C[C@@H]3O[C@@H]1C[C@H]([NH3+])[C@@H](O)[C@@H](C)O1	ZINC000253393375	562881845	/nfs/dbraw/zinc/88/18/45/562881845.db2.gz	HJEZFVLKJYFNQW-KTVTYDRJSA-N	0	3	529.542	0.821	10	10		KCCEHN