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[C@@H](O)CCC(=O)c1cccc([O-])c1C(=O)c1c(C(=O)[O-])c(O)cc2c1C(=O)c1c([O-])cccc1C2=O	ZINC000003934193	561688183	/nfs/dbraw/zinc/68/81/83/561688183.db2.gz	XFESZXMDORIFAO-NSHDSACASA-N	-4	1	548.456	2.307	1	10	in-vivo	KECFML
O=C([O-])C[C@H](O)CCC(=O)c1cccc([O-])c1C(=O)c1c(C(=O)[O-])c(O)cc2c1C(=O)c1c([O-])cccc1C2=O	ZINC000014140207	561737107	/nfs/dbraw/zinc/73/71/07/561737107.db2.gz	XFESZXMDORIFAO-LLVKDONJSA-N	-4	1	548.456	2.307	1	10	in-vivo	KECFML
Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])C(F)(F)P([O-])([O-])=N[N+]#N)O2)c(=O)[nH]c1=O	ZINC000043552881	562649714	/nfs/dbraw/zinc/64/97/14/562649714.db2.gz	WZEWPGJYEFLFFD-CSMHCCOUSA-N	-3	1	566.204	2.176	1	10		KECFML
O=C([O-])CC[C@@H](NC(=O)c1cccc(CN(C(=O)CC(=O)[O-])c2ccc(C=C3SC(=S)[N-]C3=O)cc2)c1)C(=O)[O-]	ZINC000072108964	562721487	/nfs/dbraw/zinc/72/14/87/562721487.db2.gz	IOIJRIMMRWHQQK-NPBUNYCVSA-N	-4	1	585.616	2.231	1	10		KECFML
O=C([O-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccc(O)cc4C4=Cc5ccccc5CC4)cc(=O)c3c([O-])c2O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000085507082	560074369	/nfs/dbraw/zinc/07/43/69/560074369.db2.gz	NZHVNKZYBRSWDT-SQQOACJHSA-N	-2	1	590.537	2.335	1	10	biogenic,in-vitro	KECFML
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4cc(CC=C(C)C)c(O)c(CN(C)C(=O)Cc5nn[n-]n5)c4)c(=O)oc3c2C)OC1(C)C	ZINC000095539542	562755105	/nfs/dbraw/zinc/75/51/05/562755105.db2.gz	ITAAVVXUUYRUIK-KGXZHFCSSA-N	-2	1	765.777	2.341	1	10		KECFML
CC(=O)NCCc1ccc(O)c(-c2cc3c(c(O)c2O)C(=O)c2cc(O)c(C(=O)[O-])c(C(=O)[O-])c2C3=O)c1	ZINC000299863021	562893753	/nfs/dbraw/zinc/89/37/53/562893753.db2.gz	OLEDPXIGUWUDBM-UHFFFAOYSA-N	-2	1	521.434	2.026	1	10		KECFML